![4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/4337/433705-96-5.webp)
4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433705-96-5) is a chemical compound with molecular formula C22H26N2O6S and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 4-methyl-3-(3-(3,4,5-triethoxybenzoyl)thioureido)benzoic acid, 4-methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid, 4-methyl-3-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoic acid, 4-methyl-3-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]benzoic Acid
| Molecular Formula | C22H26N2O6S |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 4.01612 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.15115 |
| Heavy Atoms | 31 |
| Complexity | 949.46375 |
Chemical Identifiers
| CAS Number | 433705-96-5 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C |
Product Overview
4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433705-96-5), with molecular formula C22H26N2O6S and molecular weight 446.15 g/mol. IUPAC: 4-methyl-3-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 4.01612 indicates that 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid has 3 hydrogen bond donor(s) and 6 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-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 433705-96-5.
What is the molecular formula of 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is C22H26N2O6S.
What is the molecular weight of 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 446.15 g/mol.
Where can I buy 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 4-Methyl-3-({[(3,4,5-triethoxyphenyl)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-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.