2-(1-Benzothiophen-6-yl)acetic acid
TL;DR: 2-(1-Benzothiophen-6-yl)acetic acid (CAS 6177-87-3) is a chemical compound with molecular formula C10H8O2S and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzothiophen-6-yl)acetic acid
Also Known As: benzo[b]thiophene-6-acetic acid, 2-(1-benzothiophen-6-yl)acetic acid, benzothiophene-6-acetic acid, 2-(6-Benzothienyl)acetic Acid, 1-Benzothien-6-ylacetic acid
| Molecular Formula | C10H8O2S |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.0245 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 6177-87-3 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CS2)CC(=O)O |
| InChIKey | XPXIUMYPOKBSPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Benzothiophen-6-yl)acetic acid (CAS 6177-87-3), with molecular formula C10H8O2S and molecular weight 192.02 g/mol. IUPAC: 2-(1-benzothiophen-6-yl)acetic acid.
Chemical Property Profile of 2-(1-Benzothiophen-6-yl)acetic acid
Property Insights of 2-(1-Benzothiophen-6-yl)acetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Benzothiophen-6-yl)acetic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Benzothiophen-6-yl)acetic acid. Following Lipinski's Rule of Five, 2-(1-Benzothiophen-6-yl)acetic acid has 1 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 2-(1-Benzothiophen-6-yl)acetic acid?
The CAS number of 2-(1-Benzothiophen-6-yl)acetic acid is 6177-87-3.
What is the molecular formula of 2-(1-Benzothiophen-6-yl)acetic acid?
The molecular formula of 2-(1-Benzothiophen-6-yl)acetic acid is C10H8O2S.
What is the molecular weight of 2-(1-Benzothiophen-6-yl)acetic acid?
The molecular weight of 2-(1-Benzothiophen-6-yl)acetic acid is 192.02 g/mol.
Where can I buy 2-(1-Benzothiophen-6-yl)acetic acid?
You can request a quote for 2-(1-Benzothiophen-6-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Benzothiophen-6-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Benzothiophen-6-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.