![3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid structure](/static/products/4780/478080-03-4.webp)
3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid
TL;DR: 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid (CAS 478080-03-4) is a chemical compound with molecular formula C13H11NO3S and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid
Also Known As: 3-(4-methylbenzamido)thiophene-2-carboxylic acid, 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid, 3-(benzoylamino)-2-thiophenecarboxylic acid, 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic Acid, methylbenzoylaminothiophenecarboxylicacid
| Molecular Formula | C13H11NO3S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 3.00702 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.04596 |
| Heavy Atoms | 18 |
| Complexity | 586.53876 |
Chemical Identifiers
| CAS Number | 478080-03-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)O |
Product Overview
3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid (CAS 478080-03-4), with molecular formula C13H11NO3S and molecular weight 261.05 g/mol. IUPAC: 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid.
Chemical Property Profile of 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid
Property Insights of 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid
The XLogP value of 3.00702 indicates that 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid. Following Lipinski's Rule of Five, 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid has 2 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 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid?
The CAS number of 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid is 478080-03-4.
What is the molecular formula of 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid?
The molecular formula of 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid is C13H11NO3S.
What is the molecular weight of 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid?
The molecular weight of 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid is 261.05 g/mol.
Where can I buy 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid?
You can request a quote for 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.