![CAS 17385-36-3 [1,1′-Bi(cyclohexane)]-2,2′-diol (mixture of isomers) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5497-jpgcontextbwfzdgvyfhjvb3r8mziznjz8aw1hz2uvanblz3xontkvadnklzg5mjkymdqxnzq4nzgvqju0otcuanbnfdq5mjy0owuxmdvlnwu5mzmxotdlzjq5ntbkmgnlzgrjmduxnznjogy1zwi4y2uxodm2nznmzgfmngi2mzrkmjy.jpeg)
CAS RN: 17385-36-3
[1,1′-Bi(cyclohexane)]-2,2′-diol (mixture of isomers)
- Product code: SSC-076313
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
17385-36-3 / 2-(2-hydroxycyclohexyl)cyclohexan-1-ol
Basic Information
CAS
17385-36-3
Multi CAS
No
Molecular Formula
C12H22O2
Molecular Weight
198.300000
Exact Mass
198.161980
SMILES
C1CCC(C(C1)C2CCCCC2O)O
InChI
InChI=1S/C12H22O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h9-14H,1-8H2
InChIKey
YHGWPWYUVDZVEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.93
TPSA
40.46
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.3
Consensus LogP
2.08
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
