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Non-classical benzene bioisosteres


Bioisosteric replacement of various groups is an important technique in the Medicinal Chemist’s toolbox. Replacing a phenyl or benzene ring with a non-classical ring system, rather than just a spacer, can improve physiochemical properties such as passive permeability and aqueous solubility. To see examples see below:
StructureProduct infoAvailabilityQuantity / Price
Catalog IDEN300-23294351
Product class Building Block
Name3-methylbicyclo[1.1.1]pentan-1-ol
ACD numberMFCD31537338
CAS number2091012-43-8
Formula
MW98.1
CLogP0.423
Storage conditions+4
Transport conditionsIce pack
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-1608565
Product class Building Block
Namebicyclo[1.1.1]pentan-1-ylmethanol
ACD numberMFCD28040494
CAS number22287-32-7
Formula
MW98.1
CLogP1.043
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-6763405
Product class Building Block
Namebicyclo[1.1.1]pentane-1-thiol
ACD number
CAS number754149-00-3
Formula
MW100.2
CLogP1.314
Storage conditions+4
Transport conditionsIce pack
Purity: 95%Global stock:3.9 g(5 business days)  
Catalog IDEN300-83811
Product class Building Block
Namebicyclo[1.1.1]pentane-1-carboxylic acid
ACD numberMFCD19228106
CAS number22287-28-1
Formula
MW112.1
CLogP0.474
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-329105
Product class Building Block
Name{2-oxabicyclo[2.1.1]hexan-1-yl}methanol
ACD numberMFCD30486978
CAS number2060007-65-8
Formula
MW114.1
CLogP-0.537
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-1703642
Product class Building Block
Name(3-fluorobicyclo[1.1.1]pentan-1-yl)methanol
ACD numberMFCD29037345
CAS number262852-01-7
Formula
MW116.1
CLogP0.436
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-295395
Product class Building Block
Namebicyclo[1.1.1]pentan-1-amine hydrochloride
ACD numberMFCD19204065
CAS number22287-35-0
Formula
MW119.6
CLogP0.004
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-173156
Product class Building Block
Name2-{bicyclo[1.1.1]pentan-1-yl}acetic acid
ACD numberMFCD19229645
CAS number131515-31-6
Formula
MW126.2
CLogP1.613
Storage conditions+4
Transport conditionsIce pack
Purity: 95%Global stock:> 10 g(5 business days)   EU Rush delivery(1 g)(2 business days)
1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-7433125
Product class Building Block
Namerac-(1R,3R,4S)-3-hydroxybicyclo[2.1.0]pentane-1-carboxylic acid
ACD number
CAS number2410594-78-2
Formula
MW128.1
CLogP-0.529
Storage conditions-10
Transport conditionsIce pack
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-1604607
Product class Building Block
Name2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
ACD numberMFCD28650664
CAS number1784145-36-3
Formula
MW128.1
CLogP-0.294
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-6729668
Product class Building Block
Name1-ethynylcubane
ACD numberMFCD28955445
CAS number163332-93-2
Formula
MW128.2
CLogP1.986
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:4.2 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.25, 1x0.5, 1x1
Catalog IDEN300-253473
Product class Building Block
Name3-fluorobicyclo[1.1.1]pentane-1-carboxylic acid
ACD numberMFCD19228680
CAS number146038-53-1
Formula
MW130.1
CLogP0.317
Storage conditions+4
Transport conditionsIce pack
Purity: 95%Global stock:> 10 g(5 business days)   EU Rush delivery(1 g)(2 business days)
1x0.25, 1x0.5, 1x1
Catalog IDEN300-262200
Product class Building Block
Name3-fluorobicyclo[1.1.1]pentan-1-amine hydrochloride
ACD numberMFCD28963742
CAS number1826900-79-1
Formula
MW137.6
CLogP-0.153
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-6489846
Product class Building Block
Name1-(aminomethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile
ACD numberMFCD31736477
CAS number2247107-84-0
Formula
MW138.2
CLogP-1.03
Storage conditions+4
Transport conditionsIce pack
Purity: 95%Global stock:9.9 g(5 business days)  
Catalog IDEN300-6499583
Product class Building Block
Name1-ethynyl-4-fluorobicyclo[2.2.1]heptane
ACD numberMFCD31794458
CAS number2287310-81-8
Formula
MW138.2
CLogP2.712
Storage conditions-10
Transport conditionsIce pack
USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-7178266
Product class Building Block
Name{4-aminobicyclo[2.2.1]heptan-1-yl}methanol
ACD numberMFCD27987298
CAS number1375000-42-2
Formula
MW141.2
CLogP-0.346
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-832814
Product class Building Block
Name4-methyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
ACD numberMFCD31691225
CAS number2168062-80-2
Formula
MW142.2
CLogP0.196
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1EU Rush delivery(1 g)(2 business days)
1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-380986
Product class Building Block
Name1-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
ACD numberMFCD31691151
CAS number2169582-80-1
Formula
MW142.2
CLogP0.225
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-6996768
Product class Building Block
Name[4-(aminomethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
ACD numberMFCD31926442
CAS number
Formula
MW143.2
CLogP-1.412
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-26678497
Product class Building Block
Name[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanol
ACD number
CAS number2418722-45-7
Formula
MW146.2
CLogP-0.567
Storage conditions+4
Transport conditionsIce pack
Purity: 95%Global stock:5.1 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-26624120
Product class Building Block
Namebicyclo[1.1.1]pentane-1-sulfonamide
ACD number
CAS number2413074-53-8
Formula
MW147.2
CLogP-0.826
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:2.5 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-7445610
Product class Building Block
Name3-ethylbicyclo[1.1.1]pentan-1-amine hydrochloride
ACD numberMFCD32199824
CAS number2377031-47-3
Formula
MW147.6
CLogP1.052
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:6.4 g(5 business days)  
Catalog IDEN300-26619896
Product class Building Block
Name1-{2-oxabicyclo[2.1.1]hexan-1-yl}methanamine hydrochloride
ACD number
CAS number2413903-70-3
Formula
MW149.6
CLogP-0.46
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-6481920
Product class Building Block
Name1-methyl-2-oxabicyclo[2.1.1]hexan-4-amine hydrochloride
ACD numberMFCD31668265
CAS number2170372-24-2
Formula
MW149.6
CLogP-0.067
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-6739968
Product class Building Block
Name{2-oxabicyclo[2.1.1]hexan-4-yl}methanamine hydrochloride
ACD numberMFCD31746555
CAS number2287280-60-6
Formula
MW149.6
CLogP-0.723
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-263444
Product class Building Block
Namemethyl 3-ethynylbicyclo[1.1.1]pentane-1-carboxylate
ACD numberMFCD29763395
CAS number1955554-75-2
Formula
MW150.2
CLogP0.99
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:0.9 g(5 business days)  
Catalog IDEN300-204870
Product class Building Block
Name1-{bicyclo[2.2.2]octan-1-yl}ethan-1-one
ACD numberMFCD24689318
CAS number57032-01-6
Formula
MW152.2
CLogP2.137
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-23901179
Product class Building Block
Namesodium bicyclo[1.1.1]pentane-1-sulfinate
ACD number
CAS number
Formula
MW154.2
CLogP-1.094
Storage conditions-10
Transport conditionsIce pack
Purity: 95%Global stock:6.1 g(5 business days)  
Catalog IDEN300-106638
Product class Building Block
Namebicyclo[2.2.2]octane-1-carboxylic acid
ACD numberMFCD00218755
CAS number699-55-8
Formula
MW154.2
CLogP2.151
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)   EU Rush delivery(1 g)(2 business days)
1x0.25, 1x0.5, 1x1
Catalog IDEN300-6761847
Product class Building Block
Name3-(propan-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
ACD numberMFCD30803687
CAS number1886967-55-0
Formula
MW154.2
CLogP1.921
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:7.1 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-2962790
Product class Building Block
Name{4-aminobicyclo[2.2.2]octan-1-yl}methanol
ACD numberMFCD20617348
CAS number105176-66-7
Formula
MW155.2
CLogP0.213
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.25, 1x0.5, 1x1
Catalog IDEN300-7353714
Product class Building Block
Name2-oxabicyclo[2.2.2]octane-4-carboxylic acid
ACD numberMFCD31705694
CAS number2168906-49-6
Formula
MW156.2
CLogP0.401
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-1273335
Product class Building Block
Name2-oxabicyclo[2.2.2]octane-1-carboxylic acid
ACD numberMFCD28362702
CAS number1447943-57-8
Formula
MW156.2
CLogP0.795
Storage conditions+4
Transport conditionsIce pack
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-6736397
Product class Building Block
Name2-{1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl}acetic acid
ACD numberMFCD31746052
CAS number2287272-46-0
Formula
MW156.2
CLogP0.195
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-26866506
Product class Building Block
Name4-ethyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
ACD number
CAS number
Formula
MW156.2
CLogP0.725
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-6902447
Product class Building Block
Name1-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanamine
ACD number
CAS number
Formula
MW157.2
CLogP-0.654
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-6481913
Product class Building Block
Name[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine
ACD number
CAS number2243507-14-2
Formula
MW157.2
CLogP-0.677
Storage conditions+4
Transport conditionsIce pack
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-234103
Product class Building Block
Namebicyclo[2.2.2]octan-1-amine hydrochloride
ACD numberMFCD28009517
CAS number1193-43-7
Formula
MW161.7
CLogP1.681
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-22866674
Product class Building Block
Name3-(propan-2-yl)bicyclo[1.1.1]pentan-1-amine hydrochloride
ACD numberMFCD31925005
CAS number1886967-00-5
Formula
MW161.7
CLogP1.451
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-6763705
Product class Building Block
Name2-{bicyclo[1.1.1]pentan-1-yl}-2,2-difluoroacetic acid
ACD numberMFCD32268619
CAS number2408971-36-6
Formula
MW162.1
CLogP1.909
Storage conditions+4
Transport conditionsIce pack
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-6737755
Product class Building Block
Name8-methylcubane-1-carboxylic acid
ACD numberMFCD04971257
CAS number57337-53-8
Formula
MW162.2
CLogP0.518
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-88073
Product class Building Block
Name3-aminobicyclo[1.1.1]pentane-1-carboxylic acid hydrochloride
ACD numberMFCD09971722
CAS number1172097-47-0
Formula
MW163.6
CLogP-2.217
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-6738528
Product class Building Block
Name{1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl}methanamine hydrochloride
ACD numberMFCD31746344
CAS number2287275-01-6
Formula
MW163.6
CLogP-0.204
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in Ohio stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-206665
Product class Building Block
Name{4-ethynylbicyclo[2.2.2]octan-1-yl}methanol
ACD numberMFCD29042864
CAS number94994-33-9
Formula
MW164.2
CLogP2.41
Storage conditions+4
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 0.25 g 1x0.25
Catalog IDEN300-6734454
Product class Building Block
Name{4-amino-2-oxabicyclo[2.1.1]hexan-1-yl}methanol hydrochloride
ACD numberMFCD31737064
CAS number2260930-89-8
Formula
MW165.6
CLogP-1.274
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-6738366
Product class Building Block
Name4-fluorobicyclo[2.2.1]heptan-1-amine hydrochloride
ACD numberMFCD28502790
CAS number1638765-29-3
Formula
MW165.6
CLogP0.665
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-115528
Product class Building Block
Name8-fluorocubane-1-carboxylic acid
ACD numberMFCD20645019
CAS number145193-69-7
Formula
MW166.1
CLogP-0.868
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:2.8 g(5 business days)  
Catalog IDEN300-26636030
Product class Building Block
Namerac-(1R,2R,4R)-5-oxobicyclo[2.2.2]octane-2-carboxylic acid
ACD number
CAS number1865723-93-8
Formula
MW168.2
CLogP0.618
Storage conditions+4
Transport conditionsIce pack
Purity: 95%Global stock:> 10 g(5 business days)   USA Rush delivery(2 business days)
available in New Jersey stock: 1 g 1x0.002, 1x0.005, 1x0.01, 1x0.02, 1x0.025, 1x0.05, 1x0.1, 1x0.25, 1x0.5, 1x1
Catalog IDEN300-7435434
Product class Building Block
Name3-(oxetan-3-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
ACD numberMFCD32063628
CAS number2402830-80-0
Formula
MW168.2
CLogP-0.493
Storage conditions-10
Transport conditionsIce pack
Purity: 95%Global stock:> 10 g(5 business days)  
Catalog IDEN300-6734967
Product class Building Block
Name3-{bicyclo[2.2.1]heptan-1-yl}propanoic acid
ACD numberMFCD31746366
CAS number2287300-49-4
Formula
MW168.2
CLogP3.26
Storage conditionsRT
Transport conditionsNormal
Purity: 95%Global stock:8.8 g(5 business days)   USA Rush delivery(2 business days)
available in Ohio stock: 1 g 1x0.25, 1x0.5, 1x1
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