CAS RN: 166987-16-2
(2S,3S)-3-Amino-1-chloro-4-phenylbutan-2-ol hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250917 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINS905627
166987-16-2 / (2S,3S)-3-amino-1-chloro-4-phenylbutan-2-ol;hydrochloride
Basic Information
CAS
166987-16-2
Multi CAS
No
Molecular Formula
C10H15Cl2NO
Molecular Weight
236.130000
Exact Mass
235.053070
SMILES
C1=CC=C(C=C1)C[C@@H]([C@@H](CCl)O)N.Cl
InChI
InChI=1S/C10H14ClNO.ClH/c11-7-10(13)9(12)6-8-4-2-1-3-5-8;/h1-5,9-10,13H,6-7,12H2;1H/t9-,10+;/m0./s1
InChIKey
UUFFFFLPZDDWLI-BAUSSPIASA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.1
TPSA
46.25
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.58
Consensus LogP
1.52
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
Thiazol-5-ylmethyl ((2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl)carbamate
- CAS RN: 144164-11-4
- Product Code: SSC-055383
-
(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-Dimethyl-2,16-di(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- CAS RN: 13522-16-2
- Product Code: LINS890684
-
(2S,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-phenylpyrrolidine-2-carboxylic acid
- CAS RN: 1093651-96-7
- Product Code: SSC-010640
-
(2S,4R)-1-(tert-Butoxycarbonyl)-4-((2-(4-isopropoxyphenyl)benzofuro[3,2-d]pyrimidin-4-yl)oxy)pyrrolidine-2-carboxylic acid
- CAS RN: 1315326-78-3
- Product Code: LINS900168
-
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-fluorobenzyl)pyrrolidine-2-carboxylic acid
- CAS RN: 959579-74-9
- Product Code: LINS891297
![CAS 13522-16-2 (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-Dimethyl-2,16-di(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/13522-16-2.png)
![CAS 1315326-78-3 (2S,4R)-1-(tert-Butoxycarbonyl)-4-((2-(4-isopropoxyphenyl)benzofuro[3,2-d]pyrimidin-4-yl)oxy)pyrrolidine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1315326-78-3.png)
