ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate
TL;DR: ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate (CAS 445005-04-9) is a chemical compound with molecular formula C21H16ClN3O7S and molecular weight 489.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-2-[(2,4-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate
Also Known As: ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate, ethyl 4-(4-chlorophenyl)-2-[(2,4-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate, ETHYL 4-(4-CHLOROPHENYL)-2-(2,4-DINITROBENZAMIDO)-5-METHYLTHIOPHENE-3-CARBOXYLATE, ETHYL 4-(4-CHLOROPHENYL)-2-[(2,4-DINITROBENZOYL)AMINO]-5-METHYL-3-THIOPHENECARBOXYLATE, ethyl 4-(4-chlorophenyl)-2-{[(2,4-dinitrophenyl)carbonyl]amino}-5-methylthiophene-3-carboxylate
| Molecular Formula | C21H16ClN3O7S |
|---|---|
| Molecular Weight | 489.04 g/mol |
| LogP | 5.62232 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.03973 |
| Heavy Atoms | 33 |
| Complexity | 1271.6078 |
Chemical Identifiers
| CAS Number | 445005-04-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate (CAS 445005-04-9), with molecular formula C21H16ClN3O7S and molecular weight 489.04 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-2-[(2,4-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate
Property Insights of ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate
The XLogP value of 5.62232 indicates that ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.68 Ų indicates high polarity, suggesting ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate?
The CAS number of ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate is 445005-04-9.
What is the molecular formula of ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate?
The molecular formula of ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate is C21H16ClN3O7S.
What is the molecular weight of ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate?
The molecular weight of ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate is 489.04 g/mol.
Where can I buy ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate?
You can request a quote for ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.