![3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid structure](/static/products/4336/433698-94-3.webp)
3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid
TL;DR: 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid (CAS 433698-94-3) 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.
3-[(4-chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-[(4-chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid, 3-[(4-chlorobenzoyl)thiocarbamoylamino]-4-methyl-benzoic Acid, 3-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID, 3-{[(4-Chlorobenzoyl)carbamothioyl]amino}-4-methylbenzoic acid, 3-({[(4-chlorobenzoyl)amino]carbonothioyl}amino)-4-methylbenzoic 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 | 775.39484 |
Chemical Identifiers
| CAS Number | 433698-94-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid (CAS 433698-94-3), with molecular formula C16H13ClN2O3S and molecular weight 348.03 g/mol. IUPAC: 3-[(4-chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid
Property Insights of 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid
The XLogP value of 3.47342 indicates that 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic 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 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic 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 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid?
The CAS number of 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid is 433698-94-3.
What is the molecular formula of 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid?
The molecular formula of 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid is C16H13ClN2O3S.
What is the molecular weight of 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid?
The molecular weight of 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid is 348.03 g/mol.
Where can I buy 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid?
You can request a quote for 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic 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-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.