![Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate structure](/static/products/4284/428475-90-5.webp)
Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428475-90-5) is a chemical compound with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoate
Also Known As: methyl 2-(3-(4-ethoxy-3-nitrobenzoyl)thioureido)benzoate, methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate, methyl 2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoate
| Molecular Formula | C18H17N3O6S |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 2.9069 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0838 |
| Heavy Atoms | 28 |
| Complexity | 931.287 |
Chemical Identifiers
| CAS Number | 428475-90-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428475-90-5), with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol. IUPAC: methyl 2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 2.9069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-({[(4-ethoxy-3-nitrophenyl)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 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate is 428475-90-5.
What is the molecular formula of Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate is C18H17N3O6S.
What is the molecular weight of Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate is 403.08 g/mol.
Where can I buy Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Methyl 2-({[(4-ethoxy-3-nitrophenyl)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 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.