3-Benzoyl-2-thiophenecarboxylic acid
TL;DR: 3-Benzoyl-2-thiophenecarboxylic acid (CAS 30006-03-2) is a chemical compound with molecular formula C12H8O3S and molecular weight 232.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoylthiophene-2-carboxylic acid
Also Known As: 3-Benzoyl-2-thiophenecarboxylic acid, 3-benzoylthiophene-2-carboxylic acid, 3-Benzoylthiophen-2-carbonsaeure, 2-Thiophenecarboxylic acid, 3-benzoyl-, 3-benzoyl-thiophene-2-carboxylic acid
| Molecular Formula | C12H8O3S |
|---|---|
| Molecular Weight | 232.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.01941 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 30006-03-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(SC=C2)C(=O)O |
| InChIKey | ZKHLBCVFVQJMBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzoyl-2-thiophenecarboxylic acid (CAS 30006-03-2), with molecular formula C12H8O3S and molecular weight 232.02 g/mol. IUPAC: 3-benzoylthiophene-2-carboxylic acid.
Chemical Property Profile of 3-Benzoyl-2-thiophenecarboxylic acid
Property Insights of 3-Benzoyl-2-thiophenecarboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoyl-2-thiophenecarboxylic acid. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoyl-2-thiophenecarboxylic acid. Following Lipinski's Rule of Five, 3-Benzoyl-2-thiophenecarboxylic acid has 1 hydrogen bond donor(s) and 4 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-Benzoyl-2-thiophenecarboxylic acid?
The CAS number of 3-Benzoyl-2-thiophenecarboxylic acid is 30006-03-2.
What is the molecular formula of 3-Benzoyl-2-thiophenecarboxylic acid?
The molecular formula of 3-Benzoyl-2-thiophenecarboxylic acid is C12H8O3S.
What is the molecular weight of 3-Benzoyl-2-thiophenecarboxylic acid?
The molecular weight of 3-Benzoyl-2-thiophenecarboxylic acid is 232.02 g/mol.
Where can I buy 3-Benzoyl-2-thiophenecarboxylic acid?
You can request a quote for 3-Benzoyl-2-thiophenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-2-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-2-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.