5-Acetyl-3-thiophenecarboxylic acid
TL;DR: 5-Acetyl-3-thiophenecarboxylic acid (CAS 33149-04-1) is a chemical compound with molecular formula C7H6O3S and molecular weight 170.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetylthiophene-3-carboxylic acid
Also Known As: 5-acetylthiophene-3-carboxylic acid, 5-Acetyl-3-thiophenecarboxylic acid, 5-Acetyl-thiophene-3-carboxylic acid, BAS 10144131, 3-(3,5-dichloroanilino)propanenitrile
| Molecular Formula | C7H6O3S |
|---|---|
| Molecular Weight | 170.00 g/mol |
| LogP | 1.6489 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.00377 |
| Heavy Atoms | 11 |
| Complexity | 271.88925 |
Chemical Identifiers
| CAS Number | 33149-04-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=CS1)C(=O)O |
Product Overview
5-Acetyl-3-thiophenecarboxylic acid (CAS 33149-04-1), with molecular formula C7H6O3S and molecular weight 170.00 g/mol. IUPAC: 5-acetylthiophene-3-carboxylic acid.
Chemical Property Profile of 5-Acetyl-3-thiophenecarboxylic acid
Property Insights of 5-Acetyl-3-thiophenecarboxylic acid
The XLogP value of 1.6489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-3-thiophenecarboxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 5-Acetyl-3-thiophenecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-3-thiophenecarboxylic 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 5-Acetyl-3-thiophenecarboxylic acid?
The CAS number of 5-Acetyl-3-thiophenecarboxylic acid is 33149-04-1.
What is the molecular formula of 5-Acetyl-3-thiophenecarboxylic acid?
The molecular formula of 5-Acetyl-3-thiophenecarboxylic acid is C7H6O3S.
What is the molecular weight of 5-Acetyl-3-thiophenecarboxylic acid?
The molecular weight of 5-Acetyl-3-thiophenecarboxylic acid is 170.00 g/mol.
Where can I buy 5-Acetyl-3-thiophenecarboxylic acid?
You can request a quote for 5-Acetyl-3-thiophenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-3-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-3-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.