![3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/4339/433965-32-3.webp)
3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433965-32-3) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylbenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3-[(4-methylbenzoyl)carbamothioylamino]benzoic acid, 3-[(4-methylbenzoyl)thiocarbamoylamino]benzoic Acid, 3-[3-(4-Methyl-benzoyl)-thioureido]-benzoic acid, 3-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoic acid, 3-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.82002 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 726.4257 |
Chemical Identifiers
| CAS Number | 433965-32-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433965-32-3), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 3-[(4-methylbenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 2.82002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid has 3 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-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 433965-32-3.
What is the molecular formula of 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid is C16H14N2O3S.
What is the molecular weight of 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 314.07 g/mol.
Where can I buy 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic 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-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(4-Methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.