![Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate structure](/static/products/4304/430442-95-8.webp)
Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 430442-95-8) is a chemical compound with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]benzoate
Also Known As: AB00112268-01, ethyl 4-(3-(2-methyl-3-nitrobenzoyl)thioureido)benzoate, ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate, ethyl 4-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]benzoate
| Molecular Formula | C18H17N3O5S |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 3.20672 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.0889 |
| Heavy Atoms | 27 |
| Complexity | 896.3702 |
Chemical Identifiers
| CAS Number | 430442-95-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C |
Product Overview
Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 430442-95-8), with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol. IUPAC: ethyl 4-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 3.20672 indicates that Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}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 Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate is 430442-95-8.
What is the molecular formula of Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate is C18H17N3O5S.
What is the molecular weight of Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate is 387.09 g/mol.
Where can I buy Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Ethyl 4-({[(2-methyl-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 Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.