CAS RN: 2976-80-9
4-(Benzyloxy)cyclohexanol (cis / trans mixture)
- Product code: SSC-132921
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2976-80-9 / 4-phenylmethoxycyclohexan-1-ol
Basic Information
CAS
2976-80-9
Multi CAS
No
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
InChI
InChI=1S/C13H18O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKey
GDGBMTDJFHTXID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.49
TPSA
29.46
LogP / Solubility
WLOGP
2.51
MLOGP
2.21
XLogP3
2.2
Consensus LogP
2.31
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly 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)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
9(S)-HPODE
- CAS RN: 29774-12-7
- Product Code: starshine_CAS29774-12-7
- Purity/Analytical method: >99.0%
-
-
PTEROSIDEB
- CAS RN: 29774-74-1
- Product Code: starshine_CAS29774-74-1
- Purity/Analytical method: >99.0%
-
