![2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid structure](/static/products/4352/435285-90-8.webp)
2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid
TL;DR: 2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid (CAS 435285-90-8) is a chemical compound with molecular formula C17H15ClN2O3S and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid
Also Known As: 2-chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid, 2-chloro-5-({[(3,4-dimethylbenzoyl)amino]carbonothioyl}amino)benzoic acid, 2-chloro-5-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoic acid, 2-chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic, 2-chloro-5-[(3,4-dimethylbenzoyl)thiocarbamoylamino]benzoic Acid
| Molecular Formula | C17H15ClN2O3S |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 3.78184 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.0492 |
| Heavy Atoms | 24 |
| Complexity | 836.5805 |
Chemical Identifiers
| CAS Number | 435285-90-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)C |
Product Overview
2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid (CAS 435285-90-8), with molecular formula C17H15ClN2O3S and molecular weight 362.05 g/mol. IUPAC: 2-chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid
Property Insights of 2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 3.78184 indicates that 2-Chloro-5-[(3,4-dimethylbenzoyl)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-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-[(3,4-dimethylbenzoyl)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-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid is 435285-90-8.
What is the molecular formula of 2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid is C17H15ClN2O3S.
What is the molecular weight of 2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid is 362.05 g/mol.
Where can I buy 2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 2-Chloro-5-[(3,4-dimethylbenzoyl)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-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.