(S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride
TL;DR: (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride (CAS 269398-95-0) is a chemical compound with molecular formula C12H14ClNO2S and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-amino-4-(1-benzothiophen-3-yl)butanoic acid;hydrochloride
Also Known As: (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride, (S)-3-Amino-4-(3-benzothienyl)-butyric acid-HCl, H-, A-HoAla(3-benzothienyl)-OH.HCl, H-beta-HAla(3-benzothienyl)-OH HCl
| Molecular Formula | C12H14ClNO2S |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | 2.6676 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.04337 |
| Heavy Atoms | 17 |
| Complexity | 511.92987 |
Chemical Identifiers
| CAS Number | 269398-95-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)C[C@@H](CC(=O)O)N.Cl |
Product Overview
(S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride (CAS 269398-95-0), with molecular formula C12H14ClNO2S and molecular weight 271.04 g/mol. IUPAC: (3S)-3-amino-4-(1-benzothiophen-3-yl)butanoic acid;hydrochloride.
Chemical Property Profile of (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride
Property Insights of (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride
The XLogP value of 2.6676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride. Following Lipinski's Rule of Five, (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride?
The CAS number of (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride is 269398-95-0.
What is the molecular formula of (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride?
The molecular formula of (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride is C12H14ClNO2S.
What is the molecular weight of (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride?
The molecular weight of (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride is 271.04 g/mol.
Where can I buy (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride?
You can request a quote for (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.