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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 IDEN300-1608565
Product classBuilding Block
Namebicyclo[1.1.1]pentan-1-ylmethanol
ACD numberMFCD28040494
CAS number22287-32-7
Formula
MW98.1
CLogP1.043
Storage conditions+4
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
Catalog IDEN300-6763405
Product classBuilding Block
Namebicyclo[1.1.1]pentane-1-thiol
ACD numberMFCD31915505
CAS number
Formula
MW100.2
CLogP1.314
Storage conditions+4
Transport conditionsIce pack
Global stock:3.9 g(5 business days)  
Catalog IDEN300-83811
Product classBuilding 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
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25g  
Catalog IDEN300-329105
Product classBuilding 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
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-1703642
Product classBuilding 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
Global stock:1.3 g(5 business days)  
Catalog IDEN300-295395
Product classBuilding 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
Global stock:> 10 g(5 business days)  
EU rush delivery(2 business days)EU Rush: 1x0.1gEU Rush: 1x0.25gEU Rush: 1x0.5gEU Rush: 1x1g  
USA rush delivery(2 business days)USA Rush: 1x0.1g  
Catalog IDEN300-173156
Product classBuilding 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 conditionsNormal
Global stock:8.0 g(5 business days)  
EU rush delivery(2 business days)EU Rush: 1x1g  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5g  
Catalog IDEN300-1604607
Product classBuilding 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
Global stock:7.9 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-6729668
Product classBuilding Block
Name1-ethynylcubane
ACD numberMFCD28955445
CAS number163332-93-2
Formula
MW128.2
CLogP1.986
Storage conditions+4
Transport conditionsNormal
Global stock:4.3 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-253473
Product classBuilding 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 conditionsNormal
Global stock:9.5 g(5 business days)  
EU rush delivery(2 business days)EU Rush: 1x0.1gEU Rush: 1x0.25gEU Rush: 1x0.5gEU Rush: 1x1g  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5g  
Catalog IDEN300-262200
Product classBuilding 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
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 2x0.25gUSA Rush: 2x0.5g  
Catalog IDEN300-6489846
Product classBuilding 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
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-6499583
Product classBuilding Block
Name1-ethynyl-4-fluorobicyclo[2.2.1]heptane
ACD number
CAS number
Formula
MW138.2
CLogP2.712
Storage conditions-10
Transport conditionsIce pack
Global stock:0.8 g(5 business days)  
Catalog IDEN300-832814
Product classBuilding 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
Global stock:9.1 g(5 business days)  
EU rush delivery(2 business days)EU Rush: 1x0.1gEU Rush: 1x0.25gEU Rush: 1x0.5gEU Rush: 1x1g  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-380986
Product classBuilding 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
Global stock:> 10 g(5 business days)  
Catalog IDEN300-6481920
Product classBuilding 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
Global stock:> 10 g(5 business days)  
Catalog IDEN300-6739968
Product classBuilding Block
Name{2-oxabicyclo[2.1.1]hexan-4-yl}methanamine hydrochloride
ACD numberMFCD31746555
CAS number
Formula
MW149.6
CLogP-0.723
Storage conditions+4
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-263444
Product classBuilding 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
Global stock:0.9 g(5 business days)  
Catalog IDEN300-204870
Product classBuilding 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
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1g  
Catalog IDEN300-219968
Product classBuilding Block
Name4-methylbicyclo[2.2.2]octane-1-carbaldehyde
ACD numberMFCD24677324
CAS number94994-30-6
Formula
MW152.2
CLogP2.64
Storage conditions-10
Transport conditionsIce pack
Global stock:3.8 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25g  
Catalog IDEN300-106638
Product classBuilding Block
Namebicyclo[2.2.2]octane-1-carboxylic acid
ACD numberMFCD00218755
CAS number699-55-8
Formula
MW154.2
CLogP2.151
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
EU rush delivery(2 business days)EU Rush: 1x0.1gEU Rush: 1x0.25gEU Rush: 1x0.5gEU Rush: 1x1g  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5g  
Catalog IDEN300-6736397
Product classBuilding Block
Name2-{1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl}acetic acid
ACD numberMFCD31746052
CAS number
Formula
MW156.2
CLogP0.195
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-298074
Product classBuilding Block
Name1-ethynyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane
ACD numberMFCD30180978
CAS number1955540-63-2
Formula
MW160.1
CLogP1.474
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
Catalog IDEN300-234103
Product classBuilding Block
Namebicyclo[2.2.2]octan-1-amine hydrochloride
ACD numberMFCD28009517
CAS number1193-43-7
Formula
MW161.7
CLogP1.681
Storage conditionsRT
Transport conditionsNormal
Global stock:0.8 g(5 business days)  
USA rush delivery(5 business days)  
Catalog IDEN300-88073
Product classBuilding 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
Global stock:> 10 g(5 business days)  
Catalog IDEN300-6738528
Product classBuilding Block
Name{1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl}methanamine hydrochloride
ACD numberMFCD31746344
CAS number
Formula
MW163.6
CLogP-0.204
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-206665
Product classBuilding 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
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.25g  
Catalog IDEN300-6734454
Product classBuilding Block
Name{4-amino-2-oxabicyclo[2.1.1]hexan-1-yl}methanol hydrochloride
ACD numberMFCD31737064
CAS number
Formula
MW165.6
CLogP-1.274
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-6738366
Product classBuilding 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
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5g  
Catalog IDEN300-115528
Product classBuilding Block
Name8-fluorocubane-1-carboxylic acid
ACD numberMFCD20645019
CAS number145193-69-7
Formula
MW166.1
CLogP-0.868
Storage conditionsRT
Transport conditionsNormal
Global stock:3.8 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-1604680
Product classBuilding Block
Name2-{bicyclo[2.2.2]octan-1-yl}acetic acid
ACD numberMFCD31566779
CAS number1895244-70-8
Formula
MW168.2
CLogP3.29
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
Catalog IDEN300-6734967
Product classBuilding 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
Global stock:> 10 g(5 business days)  
Catalog IDEN300-6750908
Product classBuilding Block
Name(cuban-1-yl)methanamine hydrochloride
ACD numberMFCD30723379
CAS number
Formula
MW169.7
CLogP0.928
Storage conditionsRT
Transport conditionsNormal
Global stock:4.4 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-173070
Product classBuilding Block
Name3-(acetyloxy)bicyclo[1.1.1]pentane-1-carboxylic acid
ACD numberMFCD20653291
CAS number83249-07-4
Formula
MW170.2
CLogP0.845
Storage conditionsRT
Transport conditionsNormal
Global stock:1.9 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.25g  
Catalog IDEN300-132008
Product classBuilding Block
Name3-(methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid
ACD numberMFCD20638314
CAS number83249-10-9
Formula
MW170.2
CLogP0.845
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
EU rush delivery(2 business days)EU Rush: 1x0.1gEU Rush: 1x0.25gEU Rush: 1x0.5gEU Rush: 1x1g  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-6731807
Product classBuilding Block
Name4-methoxybicyclo[2.2.1]heptane-1-carboxylic acid
ACD numberMFCD20653181
CAS number88888-29-3
Formula
MW170.2
CLogP0.799
Storage conditions+4
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5g  
Catalog IDEN300-6497350
Product classBuilding Block
Name5-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylic acid
ACD numberMFCD31718764
CAS number2248321-40-4
Formula
MW170.2
CLogP1.473
Storage conditions+4
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-261457
Product classBuilding Block
Name{bicyclo[1.1.1]pentan-1-yl}hydrazine dihydrochloride
ACD numberMFCD27996126
CAS number1403746-38-2
Formula
MW171.1
CLogP-0.396
Storage conditions+4
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5g  
Catalog IDEN300-6513098
Product classBuilding Block
Name[5-(aminomethyl)-6-oxabicyclo[3.2.1]octan-1-yl]methanol
ACD numberMFCD31719521
CAS number2253630-92-9
Formula
MW171.2
CLogP-0.172
Storage conditions+4
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-1703283
Product classBuilding Block
Namemethyl 4-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-1-carboxylate
ACD numberMFCD31690093
CAS number2219375-40-1
Formula
MW172.2
CLogP-0.925
Storage conditions+4
Transport conditionsNormal
Global stock:9.1 g(5 business days)  
Catalog IDEN300-1585726
Product classBuilding Block
Name8-ethynylcubane-1-carboxylic acid
ACD number
CAS number2169631-31-4
Formula
MW172.2
CLogP-0.571
Storage conditions+4
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
Catalog IDEN300-106450
Product classBuilding Block
Name4-fluorobicyclo[2.2.2]octane-1-carboxylic acid
ACD numberMFCD20638766
CAS number78385-84-9
Formula
MW172.2
CLogP1.544
Storage conditionsRT
Transport conditionsNormal
Global stock:7.9 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25g  
Catalog IDEN300-1605368
Product classBuilding Block
Name{bicyclo[2.2.2]octan-1-yl}methanamine hydrochloride
ACD numberMFCD28501816
CAS number5561-74-0
Formula
MW175.7
CLogP2.82
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-378895
Product classBuilding Block
Name3-tert-butylbicyclo[1.1.1]pentan-1-amine hydrochloride
ACD numberMFCD30734021
CAS number1886967-57-2
Formula
MW175.7
CLogP1.85
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5g  
Catalog IDEN300-2575407
Product classBuilding Block
Name1-(bromomethyl)-2-oxabicyclo[2.1.1]hexane
ACD numberMFCD31719727
CAS number2253631-03-5
Formula
MW177.0
CLogP0.873
Storage conditions-10
Transport conditionsIce pack
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x1g  
Catalog IDEN300-6496431
Product classBuilding Block
Name3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid hydrochloride
ACD numberMFCD31617921
CAS number2173991-78-9
Formula
MW177.6
CLogP-3.164
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-7421630
Product classBuilding Block
Name4-aminobicyclo[2.2.2]octan-1-ol hydrochloride
ACD numberMFCD26406403
CAS number1403864-74-3
Formula
MW177.7
CLogP-0.406
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
Catalog IDEN300-6740842
Product classBuilding Block
Name2-{1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl}ethan-1-amine hydrochloride
ACD number
CAS number
Formula
MW177.7
CLogP-0.169
Storage conditionsRT
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-6496995
Product classBuilding Block
Name{4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl}methanamine hydrochloride
ACD numberMFCD31718720
CAS number2248349-36-0
Formula
MW177.7
CLogP0.748
Storage conditions+4
Transport conditionsNormal
Global stock:> 10 g(5 business days)  
USA rush delivery(2 business days)USA Rush: 1x0.1gUSA Rush: 1x0.25gUSA Rush: 1x0.5gUSA Rush: 1x1g  
Catalog IDEN300-6479495
Product classBuilding Block
Name{4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl}methanamine hydrochloride
ACD numberMFCD31667153
CAS number2241140-70-3
Formula
MW177.7
CLogP0.588
Storage conditions+4
Transport conditionsNormal
Global stock:5.0 g(5 business days)  
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