2,5-Dimethyl-1-benzothiophene-3-carboxylic acid
TL;DR: 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid (CAS 6432-33-3) is a chemical compound with molecular formula C11H10O2S and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1-benzothiophene-3-carboxylic acid
Also Known As: 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid, J1.428.936D, 2,5-Dimethylbenzo(b)thiophene-3-carboxylic acid, 2,5-Dimethylbenzo[b]thiophene-3-carboxylic acid, 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid #
| Molecular Formula | C11H10O2S |
|---|---|
| Molecular Weight | 206.04 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 | 206.04015 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 6432-33-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(=C2C(=O)O)C |
| InChIKey | RMZUIZDEPYMURK-UHFFFAOYSA-N |
Product Overview
2,5-Dimethyl-1-benzothiophene-3-carboxylic acid (CAS 6432-33-3), with molecular formula C11H10O2S and molecular weight 206.04 g/mol. IUPAC: 2,5-dimethyl-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid
Property Insights of 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid
The XLogP value of 3.2 indicates that 2,5-Dimethyl-1-benzothiophene-3-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 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 2,5-Dimethyl-1-benzothiophene-3-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 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid?
The CAS number of 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid is 6432-33-3.
What is the molecular formula of 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid?
The molecular formula of 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid is C11H10O2S.
What is the molecular weight of 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid?
The molecular weight of 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid is 206.04 g/mol.
Where can I buy 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid?
You can request a quote for 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-1-benzothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.