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CAS RN: 1429184-14-4
(2S)-2-AMINO-2-(4-PHENYLPHENYL)ETHAN-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.20251113 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1429184-14-4
- Purity/Analytical Methods: >99.0%
1429184-14-4 / (2S)-2-amino-2-(4-phenylphenyl)ethanol
Basic Information
CAS
1429184-14-4
Multi CAS
No
Molecular Formula
C14H15NO
Molecular Weight
213.270000
Exact Mass
213.115364
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H](CO)N
InChI
InChI=1S/C14H15NO/c15-14(10-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,16H,10,15H2/t14-/m1/s1
InChIKey
DRGRSSFCCDTWRF-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.89
TPSA
46.25
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
1.8
Consensus LogP
2.07
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.36
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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