CAS RN: 1965310-35-3
(4,4-dimethylcyclohexyl)methanediol
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.20250605 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1965310-35-3
- Purity/Analytical Methods: >99.0%
1965310-35-3 / (4,4-dimethylcyclohexyl)methanediol
Basic Information
CAS
1965310-35-3
Multi CAS
No
Molecular Formula
C9H18O2
Molecular Weight
158.240000
Exact Mass
158.130680
SMILES
CC1(CCC(CC1)C(O)O)C
InChI
InChI=1S/C9H18O2/c1-9(2)5-3-7(4-6-9)8(10)11/h7-8,10-11H,3-6H2,1-2H3
InChIKey
BKYARZUZUNFSHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.96
TPSA
40.46
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
2
Consensus LogP
1.61
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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