CAS RN: 77866-58-1
trans-4-Propylcyclohexanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250719 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTP1882
- Purity/Analytical Methods: >95.0%(GC)
77866-58-1 / 4-propylcyclohexan-1-ol
Basic Information
CAS
77866-58-1
Multi CAS
Yes
Molecular Formula
C9H18O
Molecular Weight
142.240000
Exact Mass
142.135765
InChI
InChI=1S/C9H18O/c1-2-3-8-4-6-9(10)7-5-8/h8-10H,2-7H2,1H3
InChIKey
YVPZFPKENDZQEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.87
TPSA
20.23
LogP / Solubility
WLOGP
2.34
MLOGP
2.05
XLogP3
2.9
Consensus LogP
2.43
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
