ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate
TL;DR: ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate (CAS 444927-38-2) is a chemical compound with molecular formula C24H23N3O7S and molecular weight 497.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-ethylphenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate, ethyl 4-(4-ethylphenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate, ethyl 4-(4-ethylphenyl)-5-methyl-2-[(4-methyl-3,5-dinitrophenyl)carbonylamino] thiophene-3-carboxylate, ethyl 4-(4-ethylphenyl)-5-methyl-2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C24H23N3O7S |
|---|---|
| Molecular Weight | 497.13 g/mol |
| LogP | 5.83974 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.12567 |
| Heavy Atoms | 35 |
| Complexity | 1294.626 |
Chemical Identifiers
| CAS Number | 444927-38-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-])C |
Product Overview
ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate (CAS 444927-38-2), with molecular formula C24H23N3O7S and molecular weight 497.13 g/mol. IUPAC: ethyl 4-(4-ethylphenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate
Property Insights of ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate
The XLogP value of 5.83974 indicates that ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate 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-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate 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-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate?
The CAS number of ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate is 444927-38-2.
What is the molecular formula of ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate?
The molecular formula of ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate is C24H23N3O7S.
What is the molecular weight of ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate?
The molecular weight of ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate is 497.13 g/mol.
Where can I buy ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate?
You can request a quote for ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({3,5-dinitro-4-methylbenzoyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.