![4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid structure](/static/products/5329/532948-64-4.webp)
4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid
TL;DR: 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid (CAS 532948-64-4) 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.
3-(benzoylcarbamothioylamino)-4-chlorobenzoic acid
Also Known As: 3-(3-benzoyl-thioureido)-4-chloro-benzoic acid, 3-(benzoylcarbamothioylamino)-4-chlorobenzoic acid, 3-(benzoylthiocarbamoylamino)-4-chloro-benzoic Acid, 3-{[(benzoylamino)carbonothioyl]amino}-4-chlorobenzoic acid, 3-[[(Benzoylamino)thioxomethyl ]amino]-4-chloro-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 | 734.8223 |
Chemical Identifiers
| CAS Number | 532948-64-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid (CAS 532948-64-4), with molecular formula C15H11ClN2O3S and molecular weight 334.02 g/mol. IUPAC: 3-(benzoylcarbamothioylamino)-4-chlorobenzoic acid.
Chemical Property Profile of 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid
Property Insights of 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid
The XLogP value of 3.165 indicates that 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]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 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-{[(phenylcarbonyl)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 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid?
The CAS number of 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid is 532948-64-4.
What is the molecular formula of 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid?
The molecular formula of 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid is C15H11ClN2O3S.
What is the molecular weight of 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid?
The molecular weight of 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid is 334.02 g/mol.
Where can I buy 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid?
You can request a quote for 4-Chloro-3-{[(phenylcarbonyl)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 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.