CAS RN: 80-53-5
p-menthane-1,8-diol
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.20251128 | 25mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS80-53-5
- Purity/Analytical Methods: >99.0%
80-53-5 / 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol
Basic Information
CAS
80-53-5
Multi CAS
No
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
InChI
InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3
InChIKey
RBNWAMSGVWEHFP-UHFFFAOYSA-N
Physical Properties
Melting Point
158 - 159 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.88
TPSA
40.46
LogP / Solubility
WLOGP
1.7
MLOGP
1.49
XLogP3
1.2
Consensus LogP
1.46
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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