![3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid structure](/static/products/4339/433956-60-6.webp)
3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
TL;DR: 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433956-60-6) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid, 3-[(3,4-dimethoxybenzoyl)thiocarbamoylamino]-4-methyl-benzoic Acid, 3-[3-(3,4-Dimethoxy-benzoyl)-thioureido]-4-methyl-benzoic acid, 3-({[(3,4-dimethoxybenzoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid, 3-({[(3,4-dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 2.83722 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 866.6551 |
Chemical Identifiers
| CAS Number | 433956-60-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC |
Product Overview
3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433956-60-6), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
Property Insights of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
The XLogP value of 2.83722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid has 3 hydrogen bond donor(s) and 5 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-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The CAS number of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 433956-60-6.
What is the molecular formula of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular formula of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is C18H18N2O5S.
What is the molecular weight of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular weight of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 374.09 g/mol.
Where can I buy 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
You can request a quote for 3-({[(3,4-Dimethoxyphenyl)carbonyl]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-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.