![3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/4336/433696-83-4.webp)
3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433696-83-4) is a chemical compound with molecular formula C15H11FN2O3S and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3-[(4-fluorobenzoyl)carbamothioylamino]benzoic acid, 3-[(4-fluorobenzoyl)thiocarbamoylamino]benzoic Acid, 3-[3-(4-Fluoro-benzoyl)-thioureido]-benzoic acid, 3-({[(4-fluorobenzoyl)amino]carbonothioyl}amino)benzoic acid, 3-({[(4-fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid
| Molecular Formula | C15H11FN2O3S |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 2.6507 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04745 |
| Heavy Atoms | 22 |
| Complexity | 731.8223 |
Chemical Identifiers
| CAS Number | 433696-83-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)C(=O)O |
Product Overview
3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433696-83-4), with molecular formula C15H11FN2O3S and molecular weight 318.05 g/mol. IUPAC: 3-[(4-fluorobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 2.6507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 3-({[(4-Fluorophenyl)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-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 433696-83-4.
What is the molecular formula of 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid is C15H11FN2O3S.
What is the molecular weight of 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 318.05 g/mol.
Where can I buy 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 3-({[(4-Fluorophenyl)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-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(4-Fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.