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CAS 6221-65-4 bicyclo[3.2.1]octane-3-carboxylic acid molecular structure lightbox
CAS RN: 6221-65-4

bicyclo[3.2.1]octane-3-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS6221-65-4
  • Purity/Analytical Methods: >99.0%
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6221-65-4 / bicyclo[3.2.1]octane-3-carboxylic acid

Standard CAS: 6221-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6221-65-4
Multi CAS
No
Molecular Formula
C9H14O2
Molecular Weight
154.210000
Exact Mass
154.099380
InChI
InChI=1S/C9H14O2/c10-9(11)8-4-6-1-2-7(3-6)5-8/h6-8H,1-5H2,(H,10,11)
InChIKey
KTEWGIIYPCRLJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.19
TPSA
37.3

LogP / Solubility

WLOGP
1.9
MLOGP
1.66
XLogP3
2.2
Consensus LogP
1.92
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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