![3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid structure](/static/products/5359/535966-38-2.webp)
3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid
TL;DR: 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid (CAS 535966-38-2) is a chemical compound with molecular formula C16H12ClN3O5S and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-[(4-chloro-3-nitro-benzoyl)thiocarbamoylamino]-4-methyl-benzoic Acid, 3-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]-4-methylbenzoic acid, 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl ]amino]-4-methyl-benzoic acid
| Molecular Formula | C16H12ClN3O5S |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 3.38162 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.01862 |
| Heavy Atoms | 26 |
| Complexity | 932.0964 |
Chemical Identifiers
| CAS Number | 535966-38-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid (CAS 535966-38-2), with molecular formula C16H12ClN3O5S and molecular weight 393.02 g/mol. IUPAC: 3-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid
Property Insights of 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid
The XLogP value of 3.38162 indicates that 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-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 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid. Following Lipinski's Rule of Five, 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-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 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid?
The CAS number of 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid is 535966-38-2.
What is the molecular formula of 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid?
The molecular formula of 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid is C16H12ClN3O5S.
What is the molecular weight of 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid?
The molecular weight of 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid is 393.02 g/mol.
Where can I buy 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid?
You can request a quote for 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[(4-Chloro-3-nitrobenzoyl)amino]thioxomethyl]amino]-4-methyl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.