3-Chloro-1-benzothiophene-2-carboxylic acid
TL;DR: 3-Chloro-1-benzothiophene-2-carboxylic acid (CAS 213697-53-1) is a chemical compound with molecular formula C9H5ClO2S and molecular weight 211.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-benzothiophene-2-carboxylic acid
Also Known As: 3-Chlorobenzo[b]thiophene-2-carboxylic acid, 3-Chloro-1-benzothiophene-2-carboxylic acid, 3-Chloro-benzo[b]thiophene-2-carboxylic acid, 3-chlorobenzothiophene-2-carboxylic acid, 3-Chlorobenzo(b)thiophene-2-carboxylic acid
| Molecular Formula | C9H5ClO2S |
|---|---|
| Molecular Weight | 211.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.96988 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 213697-53-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Cl |
| InChIKey | HJTMIYKPPPYDRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-1-benzothiophene-2-carboxylic acid (CAS 213697-53-1), with molecular formula C9H5ClO2S and molecular weight 211.97 g/mol. IUPAC: 3-chloro-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 3-Chloro-1-benzothiophene-2-carboxylic acid
Property Insights of 3-Chloro-1-benzothiophene-2-carboxylic acid
The XLogP value of 3.4 indicates that 3-Chloro-1-benzothiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-1-benzothiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Chloro-1-benzothiophene-2-carboxylic 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 3-Chloro-1-benzothiophene-2-carboxylic acid?
The CAS number of 3-Chloro-1-benzothiophene-2-carboxylic acid is 213697-53-1.
What is the molecular formula of 3-Chloro-1-benzothiophene-2-carboxylic acid?
The molecular formula of 3-Chloro-1-benzothiophene-2-carboxylic acid is C9H5ClO2S.
What is the molecular weight of 3-Chloro-1-benzothiophene-2-carboxylic acid?
The molecular weight of 3-Chloro-1-benzothiophene-2-carboxylic acid is 211.97 g/mol.
Where can I buy 3-Chloro-1-benzothiophene-2-carboxylic acid?
You can request a quote for 3-Chloro-1-benzothiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.