![4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/5301/530155-80-7.webp)
4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 530155-80-7) is a chemical compound with molecular formula C15H9Cl2N3O5S and molecular weight 412.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 4-CHLORO-3-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 4-chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid, 4-chloro-3-[(2-chloro-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid, 4-chloro-3-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]benzoic acid, 4-Chloro-3-[[[(2-chloro-4-nitrobenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C15H9Cl2N3O5S |
|---|---|
| Molecular Weight | 412.96 g/mol |
| LogP | 3.7266 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.964 |
| Heavy Atoms | 26 |
| Complexity | 935.49304 |
Chemical Identifiers
| CAS Number | 530155-80-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl |
Product Overview
4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 530155-80-7), with molecular formula C15H9Cl2N3O5S and molecular weight 412.96 g/mol. IUPAC: 4-chloro-3-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 3.7266 indicates that 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid has 3 hydrogen bond donor(s) and 5 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-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 530155-80-7.
What is the molecular formula of 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is C15H9Cl2N3O5S.
What is the molecular weight of 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 412.96 g/mol.
Where can I buy 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 4-Chloro-3-({[(2-chloro-4-nitrophenyl)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 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.