![Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate structure](/static/products/4284/428476-78-2.webp)
Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428476-78-2) 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.
methyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate
Also Known As: AB00108527-01, methyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate, methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate, methyl 4-(3-(3,4,5-triethoxybenzoyl)thioureido)benzoate, methyl 4-({[(3,4,5-triethoxybenzoyl)amino]carbothioyl}amino)benzoate
| Molecular Formula | C22H26N2O6S |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 3.7961 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.15115 |
| Heavy Atoms | 31 |
| Complexity | 903.0935 |
Chemical Identifiers
| CAS Number | 428476-78-2 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428476-78-2), with molecular formula C22H26N2O6S and molecular weight 446.15 g/mol. IUPAC: methyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 3.7961 indicates that Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate has 2 hydrogen bond donor(s) and 7 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 Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 428476-78-2.
What is the molecular formula of Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is C22H26N2O6S.
What is the molecular weight of Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 446.15 g/mol.
Where can I buy Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.