![2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5324/532408-10-9.webp)
2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
TL;DR: 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 532408-10-9) 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.
2-chloro-5-[(4-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 2-chloro-5-[(4-nitrobenzoyl)carbamothioylamino]benzoic acid, 2-chloro-5-[(4-nitrobenzoyl)thiocarbamoylamino]benzoic Acid, 2-Chloro-5-[[[(4-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 | 532408-10-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)[N+](=O)[O-] |
Product Overview
2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 532408-10-9), with molecular formula C15H10ClN3O5S and molecular weight 379.00 g/mol. IUPAC: 2-chloro-5-[(4-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
Property Insights of 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 3.0732 indicates that 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]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 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]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 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is 532408-10-9.
What is the molecular formula of 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is C15H10ClN3O5S.
What is the molecular weight of 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is 379.00 g/mol.
Where can I buy 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]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-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.