![4-Methylbenzo[b]thiophene-2-carboxylic acid structure](/static/products/1735/1735-13-3.webp)
4-Methylbenzo[b]thiophene-2-carboxylic acid
TL;DR: 4-Methylbenzo[b]thiophene-2-carboxylic acid (CAS 1735-13-3) 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.
4-methyl-1-benzothiophene-2-carboxylic acid
Also Known As: 4-Methylbenzo[b]thiophene-2-carboxylic acid, 4-Methyl-1-benzothiophene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylic acid, 4-methyl-, 4-Methylbenzo(b)thiophene-2-carboxylic acid, 4-Methylbenzothiophene-2-carboxylic Acid
| Molecular Formula | C10H8O2S |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.0245 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 1735-13-3 |
|---|---|
| SMILES | CC1=C2C=C(SC2=CC=C1)C(=O)O |
| InChIKey | OCANRQFAJMJHTR-UHFFFAOYSA-N |
Product Overview
4-Methylbenzo[b]thiophene-2-carboxylic acid (CAS 1735-13-3), with molecular formula C10H8O2S and molecular weight 192.02 g/mol. IUPAC: 4-methyl-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 4-Methylbenzo[b]thiophene-2-carboxylic acid
Property Insights of 4-Methylbenzo[b]thiophene-2-carboxylic acid
The XLogP value of 3.2 indicates that 4-Methylbenzo[b]thiophene-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 4-Methylbenzo[b]thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 4-Methylbenzo[b]thiophene-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 4-Methylbenzo[b]thiophene-2-carboxylic acid?
The CAS number of 4-Methylbenzo[b]thiophene-2-carboxylic acid is 1735-13-3.
What is the molecular formula of 4-Methylbenzo[b]thiophene-2-carboxylic acid?
The molecular formula of 4-Methylbenzo[b]thiophene-2-carboxylic acid is C10H8O2S.
What is the molecular weight of 4-Methylbenzo[b]thiophene-2-carboxylic acid?
The molecular weight of 4-Methylbenzo[b]thiophene-2-carboxylic acid is 192.02 g/mol.
Where can I buy 4-Methylbenzo[b]thiophene-2-carboxylic acid?
You can request a quote for 4-Methylbenzo[b]thiophene-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 4-Methylbenzo[b]thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzo[b]thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.