![CAS 60263-54-9 [1,1′-bicyclohexyl]-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60263-54-9.gif)
CAS RN: 60263-54-9
[1,1′-bicyclohexyl]-1-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251108 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS60263-54-9
- Purity/Analytical Methods: >99.0%
60263-54-9 / 1-cyclohexylcyclohexane-1-carboxylic acid
Basic Information
CAS
60263-54-9
Multi CAS
Yes
Molecular Formula
C13H22O2
Molecular Weight
210.310000
Exact Mass
210.161980
InChI
InChI=1S/C13H22O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h11H,1-10H2,(H,14,15)
InChIKey
SJSRFXJWBKOROD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.73
TPSA
37.3
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
4.4
Consensus LogP
3.72
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly 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)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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