![4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid structure](/static/products/5359/535948-50-6.webp)
4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid
TL;DR: 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid (CAS 535948-50-6) is a chemical compound with molecular formula C15H10ClN3O5S and molecular weight 379.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 4-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid, 4-[(4-chloro-3-nitro-benzoyl)thiocarbamoylamino]benzoic Acid, 4-{[(4-Chloro-3-nitrobenzoyl)carbamothioyl]amino}benzoic acid, 4-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C15H10ClN3O5S |
|---|---|
| Molecular Weight | 379.00 g/mol |
| LogP | 3.0732 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.00296 |
| Heavy Atoms | 25 |
| Complexity | 869.9706 |
Chemical Identifiers
| CAS Number | 535948-50-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid (CAS 535948-50-6), with molecular formula C15H10ClN3O5S and molecular weight 379.00 g/mol. IUPAC: 4-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid
Property Insights of 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 3.0732 indicates that 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]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-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]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-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid is 535948-50-6.
What is the molecular formula of 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid is C15H10ClN3O5S.
What is the molecular weight of 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid is 379.00 g/mol.
Where can I buy 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 4-[(4-Chloro-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-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.