CAS RN: 162118-01-6
(S)-DIPHENYLALANINOL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250727 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS162118-01-6
- Purity/Analytical Methods: >99.0%
162118-01-6 / (2S)-2-amino-3,3-diphenylpropan-1-ol
Basic Information
CAS
162118-01-6
Multi CAS
No
Molecular Formula
C15H17NO
Molecular Weight
227.300000
Exact Mass
227.131014
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@@H](CO)N
InChI
InChI=1S/C15H17NO/c16-14(11-17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15,17H,11,16H2/t14-/m1/s1
InChIKey
SDDOXKGXOXANAF-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.79
TPSA
46.25
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
2.1
Consensus LogP
2.04
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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