4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
TL;DR: 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 444923-99-3) is a chemical compound with molecular formula C17H15N3O9S and molecular weight 437.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 5-[(3,5-dinitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate, 4-O-ethyl 2-O-methyl 5-[(3,5-dinitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate, 4-ETHYL 2-METHYL 5-(3,5-DINITROBENZAMIDO)-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, 4-ethyl 2-methyl 5-{[(3,5-dinitrophenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate, methyl 5-[(3,5-dinitrophenyl)carbonylamino]-4-(ethoxycarbonyl)-3-methylthiophe ne-2-carboxylate
| Molecular Formula | C17H15N3O9S |
|---|---|
| Molecular Weight | 437.05 g/mol |
| LogP | 3.08852 |
| Topological Polar Surface Area | 167.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.0529 |
| Heavy Atoms | 30 |
| Complexity | 1028.7336 |
Chemical Identifiers
| CAS Number | 444923-99-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 444923-99-3), with molecular formula C17H15N3O9S and molecular weight 437.05 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 5-[(3,5-dinitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Property Insights of 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 3.08852 indicates that 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.98 Ų indicates high polarity, suggesting 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate has 1 hydrogen bond donor(s) and 10 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 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 444923-99-3.
What is the molecular formula of 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is C17H15N3O9S.
What is the molecular weight of 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 437.05 g/mol.
Where can I buy 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl 2-methyl 5-({3,5-dinitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.