2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid
TL;DR: 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid (CAS 449192-51-2) is a chemical compound with molecular formula C19H15NO3S and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylbenzoyl)amino]-4-phenylthiophene-3-carboxylic acid
Also Known As: 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid, AE-848/34080006, 2-[(4-methylbenzoyl)amino]-4-phenylthiophene-3-carboxylic acid, 2-[(4-methylbenzoyl)amino]-4-phenyl-3-thiophenecarboxylic acid, 2-[(4-methylphenyl)carbonylamino]-4-phenylthiophene-3-carboxylic acid
| Molecular Formula | C19H15NO3S |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.07727 |
| Heavy Atoms | 24 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 449192-51-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)O |
| InChIKey | UZPMFLMXOOMEAG-UHFFFAOYSA-N |
Product Overview
2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid (CAS 449192-51-2), with molecular formula C19H15NO3S and molecular weight 337.08 g/mol. IUPAC: 2-[(4-methylbenzoyl)amino]-4-phenylthiophene-3-carboxylic acid.
Chemical Property Profile of 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid
Property Insights of 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid
The XLogP value of 4.8 indicates that 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid has 2 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 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid?
The CAS number of 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid is 449192-51-2.
What is the molecular formula of 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid?
The molecular formula of 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid is C19H15NO3S.
What is the molecular weight of 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid?
The molecular weight of 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid is 337.08 g/mol.
Where can I buy 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid?
You can request a quote for 2-(4-Methylbenzamido)-4-phenylthiophene-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-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.