![3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid structure](/static/products/4620/462096-83-9.webp)
3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid
TL;DR: 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 462096-83-9) is a chemical compound with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-({[(3,4-dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid, 3-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid, 3-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID, 3-[({[(3,4-dimethylphenoxy)acetyl]amino}carbonothioyl)amino]-4-methylbenzoic acid, 3-[[2-(3,4-dimethylphenoxy)acetyl]thiocarbamoylamino]-4-methyl-benzoic Acid
| Molecular Formula | C19H20N2O4S |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.20206 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.11438 |
| Heavy Atoms | 26 |
| Complexity | 864.6128 |
Chemical Identifiers
| CAS Number | 462096-83-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C)C |
Product Overview
3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 462096-83-9), with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol. IUPAC: 3-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid
Property Insights of 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid
The XLogP value of 3.20206 indicates that 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid has 3 hydrogen bond donor(s) and 4 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-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid?
The CAS number of 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid is 462096-83-9.
What is the molecular formula of 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular formula of 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid is C19H20N2O4S.
What is the molecular weight of 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular weight of 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid is 372.11 g/mol.
Where can I buy 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid?
You can request a quote for 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-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-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.