1-Benzothiophene-5-carboxylic acid
TL;DR: 1-Benzothiophene-5-carboxylic acid (CAS 2060-64-2) 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-5-carboxylic acid
Also Known As: 1-benzothiophene-5-carboxylic acid, benzo[b]thiophene-5-carboxylic acid, benzothiophene-5-carboxylic acid, 5-carboxybenzo[b]thiophene, BUTTPARK 98\04-76
| 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 | 2060-64-2 |
|---|---|
| SMILES | C1=CC2=C(C=CS2)C=C1C(=O)O |
Product Overview
1-Benzothiophene-5-carboxylic acid (CAS 2060-64-2), with molecular formula C9H6O2S and molecular weight 178.01 g/mol. IUPAC: 1-benzothiophene-5-carboxylic acid.
Chemical Property Profile of 1-Benzothiophene-5-carboxylic acid
Property Insights of 1-Benzothiophene-5-carboxylic acid
The XLogP value of 2.5995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzothiophene-5-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Benzothiophene-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzothiophene-5-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 1-Benzothiophene-5-carboxylic acid?
The CAS number of 1-Benzothiophene-5-carboxylic acid is 2060-64-2.
What is the molecular formula of 1-Benzothiophene-5-carboxylic acid?
The molecular formula of 1-Benzothiophene-5-carboxylic acid is C9H6O2S.
What is the molecular weight of 1-Benzothiophene-5-carboxylic acid?
The molecular weight of 1-Benzothiophene-5-carboxylic acid is 178.01 g/mol.
Where can I buy 1-Benzothiophene-5-carboxylic acid?
You can request a quote for 1-Benzothiophene-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzothiophene-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzothiophene-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.