![4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid structure](/static/products/5359/535956-92-4.webp)
4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid
TL;DR: 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid (CAS 535956-92-4) is a chemical compound with molecular formula C17H14ClN3O6S and molecular weight 423.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 4-chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid, 4-chloro-3-({[(4-ethoxy-3-nitrobenzoyl)amino]carbonothioyl}amino)benzoic acid, 4-chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benz, 4-CHLORO-3-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 4-chloro-3-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
| Molecular Formula | C17H14ClN3O6S |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | 3.4719 |
| Topological Polar Surface Area | 130.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.02917 |
| Heavy Atoms | 28 |
| Complexity | 965.90405 |
Chemical Identifiers
| CAS Number | 535956-92-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)[N+](=O)[O-] |
Product Overview
4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid (CAS 535956-92-4), with molecular formula C17H14ClN3O6S and molecular weight 423.03 g/mol. IUPAC: 4-chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid
Property Insights of 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 3.4719 indicates that 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid has 3 hydrogen bond donor(s) and 6 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-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid is 535956-92-4.
What is the molecular formula of 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid is C17H14ClN3O6S.
What is the molecular weight of 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid is 423.03 g/mol.
Where can I buy 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]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-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.