3-(3-Benzo(b)thienyl)alanine
TL;DR: 3-(3-Benzo(b)thienyl)alanine (CAS 72170-71-9) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-(1-benzothiophen-3-yl)propanoic acid
Also Known As: L-3-Benzothienylalanine, (S)-2-Amino-3-(benzo[b]thiophen-3-yl)propanoic acid, 3-Bbta, D-3-(3-Benzothienyl)alanine, 3-Benzothienyl-L-alanine
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 72170-71-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)C[C@@H](C(=O)O)N |
| InChIKey | GAUUPDQWKHTCAX-VIFPVBQESA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Benzo(b)thienyl)alanine (CAS 72170-71-9), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: (2S)-2-amino-3-(1-benzothiophen-3-yl)propanoic acid.
Chemical Property Profile of 3-(3-Benzo(b)thienyl)alanine
Property Insights of 3-(3-Benzo(b)thienyl)alanine
The XLogP value of -0.2 indicates that 3-(3-Benzo(b)thienyl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Benzo(b)thienyl)alanine. Following Lipinski's Rule of Five, 3-(3-Benzo(b)thienyl)alanine has 2 hydrogen bond donor(s) and 4 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 3-(3-Benzo(b)thienyl)alanine?
The CAS number of 3-(3-Benzo(b)thienyl)alanine is 72170-71-9.
What is the molecular formula of 3-(3-Benzo(b)thienyl)alanine?
The molecular formula of 3-(3-Benzo(b)thienyl)alanine is C11H11NO2S.
What is the molecular weight of 3-(3-Benzo(b)thienyl)alanine?
The molecular weight of 3-(3-Benzo(b)thienyl)alanine is 221.05 g/mol.
Where can I buy 3-(3-Benzo(b)thienyl)alanine?
You can request a quote for 3-(3-Benzo(b)thienyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Benzo(b)thienyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Benzo(b)thienyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.