![Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate structure](/static/products/4284/428450-89-9.webp)
Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate
TL;DR: Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate (CAS 428450-89-9) 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.
methyl 2-[(3,4-dimethoxybenzoyl)carbamothioylamino]benzoate
Also Known As: methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate, methyl 2-[(3,4-dimethoxybenzoyl)carbamothioylamino]benzoate, methyl 2-(3-(3,4-dimethoxybenzoyl)thioureido)benzoate, methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbonothioyl}amino)benzoate, methyl 2-({[(3,4-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 2.6172 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 838.08124 |
Chemical Identifiers
| CAS Number | 428450-89-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)OC |
Product Overview
Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate (CAS 428450-89-9), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: methyl 2-[(3,4-dimethoxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate
Property Insights of Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate
The XLogP value of 2.6172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate has 2 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 Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate?
The CAS number of Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate is 428450-89-9.
What is the molecular formula of Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate?
The molecular formula of Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate is C18H18N2O5S.
What is the molecular weight of Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate?
The molecular weight of Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate is 374.09 g/mol.
Where can I buy Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate?
You can request a quote for Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}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 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.