![2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid structure](/static/products/1094/109436-60-4.webp)
2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid
TL;DR: 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid (CAS 109436-60-4) is a chemical compound with molecular formula C15H11ClN2O3S and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorobenzoyl)carbamothioylamino]benzoic acid
Also Known As: J1.662.482I, 2-[3-(4-Chlorobenzoyl)thioureido]benzoic acid, 2-[(4-chlorobenzoyl)carbamothioylamino]benzoic acid, 2-[(4-chlorobenzoyl)thiocarbamoylamino]benzoic Acid, 2-({[(4-chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid
| Molecular Formula | C15H11ClN2O3S |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 3.165 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.01788 |
| Heavy Atoms | 22 |
| Complexity | 731.8223 |
Chemical Identifiers
| CAS Number | 109436-60-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid (CAS 109436-60-4), with molecular formula C15H11ClN2O3S and molecular weight 334.02 g/mol. IUPAC: 2-[(4-chlorobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid
Property Insights of 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid
The XLogP value of 3.165 indicates that 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}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 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid?
The CAS number of 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid is 109436-60-4.
What is the molecular formula of 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid?
The molecular formula of 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid is C15H11ClN2O3S.
What is the molecular weight of 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid?
The molecular weight of 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid is 334.02 g/mol.
Where can I buy 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid?
You can request a quote for 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}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 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(4-Chlorobenzoyl)amino]carbonothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.