![4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5301/530136-56-2.webp)
4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid
TL;DR: 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 530136-56-2) is a chemical compound with molecular formula C16H12Cl2N2O3S and molecular weight 381.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[(2-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid
Also Known As: 4-chloro-3-[(2-chloro-4-methyl-benzoyl)thiocarbamoylamino]benzoic Acid, 4-chloro-3-[(2-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid, 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C16H12Cl2N2O3S |
|---|---|
| Molecular Weight | 381.99 g/mol |
| LogP | 4.12682 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.99457 |
| Heavy Atoms | 24 |
| Complexity | 840.0674 |
Chemical Identifiers
| CAS Number | 530136-56-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Cl |
Product Overview
4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 530136-56-2), with molecular formula C16H12Cl2N2O3S and molecular weight 381.99 g/mol. IUPAC: 4-chloro-3-[(2-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid
Property Insights of 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 4.12682 indicates that 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid has 3 hydrogen bond donor(s) and 3 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-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid is 530136-56-2.
What is the molecular formula of 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid is C16H12Cl2N2O3S.
What is the molecular weight of 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid is 381.99 g/mol.
Where can I buy 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)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 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-[[[(2-chloro-4-methylbenzoyl)amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.