![2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid structure](/static/products/433/433687-66-2.png)
2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid
TL;DR: 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid (CAS 433687-66-2) is a chemical compound with molecular formula C16H13ClN2O3S and molecular weight 348.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid
Also Known As: 2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 2-[(2-chloro-4-methyl-benzoyl)thiocarbamoylamino]benzoic Acid, 2-[(2-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid
| Molecular Formula | C16H13ClN2O3S |
|---|---|
| Molecular Weight | 348.03 g/mol |
| LogP | 3.47342 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.03354 |
| Heavy Atoms | 23 |
| Complexity | 792.64484 |
Chemical Identifiers
| CAS Number | 433687-66-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O)Cl |
Product Overview
2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid (CAS 433687-66-2), with molecular formula C16H13ClN2O3S and molecular weight 348.03 g/mol. IUPAC: 2-[(2-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid
Property Insights of 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 3.47342 indicates that 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]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 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]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 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid is 433687-66-2.
What is the molecular formula of 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid is C16H13ClN2O3S.
What is the molecular weight of 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid is 348.03 g/mol.
Where can I buy 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 2-[(2-Chloro-4-methylbenzoyl)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 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.