![CAS 1391515-12-0 (2S)-2-AMINO-2-[4-(METHYLETHYL)PHENYL]ETHAN-1-OL HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391515-12-0.gif)
CAS RN: 1391515-12-0
(2S)-2-AMINO-2-[4-(METHYLETHYL)PHENYL]ETHAN-1-OL HYDROCHLORIDE
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.20250913 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391515-12-0
- Purity/Analytical Methods: >99.0%
1391515-12-0 / (2S)-2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
Basic Information
CAS
1391515-12-0
Multi CAS
No
Molecular Formula
C11H18ClNO
Molecular Weight
215.720000
Exact Mass
215.107692
SMILES
CC(C)C1=CC=C(C=C1)[C@@H](CO)N.Cl
InChI
InChI=1S/C11H17NO.ClH/c1-8(2)9-3-5-10(6-4-9)11(12)7-13;/h3-6,8,11,13H,7,12H2,1-2H3;1H/t11-;/m1./s1
InChIKey
PLNUTKFHQUESSK-RFVHGSKJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.79
TPSA
46.25
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.22
Consensus LogP
2.13
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-2.46
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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