CAS RN: 133735-64-5
(1S,2R)-1-Amino-1-phenylpropan-2-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.20250408 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINS900300
133735-64-5 / (1S,2R)-1-amino-1-phenylpropan-2-ol;hydrochloride
Basic Information
CAS
133735-64-5
Multi CAS
No
Molecular Formula
C9H14ClNO
Molecular Weight
187.660000
Exact Mass
187.076392
SMILES
C[C@H]([C@H](C1=CC=CC=C1)N)O.Cl
InChI
InChI=1S/C9H13NO.ClH/c1-7(11)9(10)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H/t7-,9-;/m1./s1
InChIKey
VIOJYFJDMKDXOT-PRCZDLBKSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.3
TPSA
46.25
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.49
Consensus LogP
1.43
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
[1R-(1Alpha,2beta,5alpha)]-1-(isopropyl)-2-methoxy-4-methylcyclohexane
- CAS RN: 1565-76-0
- Product Code: LINR905558
-
(1S,2S)-(+)-1,2-Cyclohexanediamino-N,N’-bis(3,5-di-t-butylsalicylidene)cobalt(III) p-toluenesulfonate
- CAS RN: 672306-06-8
- Product Code: SSC-176879
-
-
tert-Butyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamate
- CAS RN: 165727-45-7
- Product Code: SSC-072384
-
(1S,2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclopentanecarboxylic acid
- CAS RN: 359586-64-4
- Product Code: SSC-143023
![CAS 1565-76-0 [1R-(1Alpha,2beta,5alpha)]-1-(isopropyl)-2-methoxy-4-methylcyclohexane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1565-76-0.png)
