CAS RN: 32454-25-4
2-methyl-2-(p-tolyl)propan-1-ol
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.20260208 | 500mg / 1g / 5g | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS32454-25-4
- Purity/Analytical Methods: >99.0%
32454-25-4 / 2-methyl-2-(4-methylphenyl)propan-1-ol
Basic Information
CAS
32454-25-4
Multi CAS
No
Molecular Formula
C11H16O
Molecular Weight
164.240000
Exact Mass
164.120115
InChI
InChI=1S/C11H16O/c1-9-4-6-10(7-5-9)11(2,3)8-12/h4-7,12H,8H2,1-3H3
InChIKey
KJEGOACBZWCEBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.29
TPSA
20.23
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.7
Consensus LogP
2.32
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.11
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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