![4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/4339/433972-44-2.webp)
4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433972-44-2) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(2-methylbenzoyl)carbamothioylamino]benzoic acid
Also Known As: 4-Methyl-3-[3-(2-methyl-benzoyl)-thioureido]-benzoic acid, 4-methyl-3-[(2-methylbenzoyl)carbamothioylamino]benzoic acid, 4-methyl-3-[(2-methylbenzoyl)thiocarbamoylamino]benzoic Acid, 4-methyl-3-({[(2-methylbenzoyl)amino]carbonothioyl}amino)benzoic acid, 4-methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.12844 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 787.15796 |
Chemical Identifiers
| CAS Number | 433972-44-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2C |
Product Overview
4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433972-44-2), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: 4-methyl-3-[(2-methylbenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 3.12844 indicates that 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}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-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}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-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 433972-44-2.
What is the molecular formula of 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid is C17H16N2O3S.
What is the molecular weight of 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 328.09 g/mol.
Where can I buy 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}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-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.