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Benzo[b]thiophene-4-carboxylic acid
TL;DR: Benzo[b]thiophene-4-carboxylic acid (CAS 10501-17-4) is a chemical compound with molecular formula C9H6O2S and molecular weight 178.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzothiophene-4-carboxylic acid
Also Known As: benzo[b]thiophene-4-carboxylic acid, Benzothiophene-4-carboxylic Acid, 1-benzothiophene-4-carboxylic acid, akos bc-0215, 4-benzothiophenecarboxylic acid
| Molecular Formula | C9H6O2S |
|---|---|
| Molecular Weight | 178.01 g/mol |
| LogP | 2.5995 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.00885 |
| Heavy Atoms | 12 |
| Complexity | 430.7761 |
Chemical Identifiers
| CAS Number | 10501-17-4 |
|---|---|
| SMILES | C1=CC(=C2C=CSC2=C1)C(=O)O |
Product Overview
Benzo[b]thiophene-4-carboxylic acid (CAS 10501-17-4), with molecular formula C9H6O2S and molecular weight 178.01 g/mol. IUPAC: 1-benzothiophene-4-carboxylic acid.
Chemical Property Profile of Benzo[b]thiophene-4-carboxylic acid
Property Insights of Benzo[b]thiophene-4-carboxylic acid
The XLogP value of 2.5995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[b]thiophene-4-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Benzo[b]thiophene-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene-4-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 Benzo[b]thiophene-4-carboxylic acid?
The CAS number of Benzo[b]thiophene-4-carboxylic acid is 10501-17-4.
What is the molecular formula of Benzo[b]thiophene-4-carboxylic acid?
The molecular formula of Benzo[b]thiophene-4-carboxylic acid is C9H6O2S.
What is the molecular weight of Benzo[b]thiophene-4-carboxylic acid?
The molecular weight of Benzo[b]thiophene-4-carboxylic acid is 178.01 g/mol.
Where can I buy Benzo[b]thiophene-4-carboxylic acid?
You can request a quote for Benzo[b]thiophene-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.