CAS RN: 22436-06-2
(S)-2-Methyl-3-phenylpropan-1-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250208 | 20mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22436-06-2
- Purity/Analytical Methods: >99.0%
22436-06-2 / (2S)-2-methyl-3-phenylpropan-1-ol
Basic Information
CAS
22436-06-2
Multi CAS
No
Molecular Formula
C10H14O
Molecular Weight
150.220000
Exact Mass
150.104465
SMILES
C[C@@H](CC1=CC=CC=C1)CO
InChI
InChI=1S/C10H14O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1
InChIKey
LTZKHYYXQWNXPU-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.4
TPSA
20.23
LogP / Solubility
WLOGP
1.86
MLOGP
1.63
XLogP3
2.3
Consensus LogP
1.93
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
