![Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate structure](/static/products/3129/312944-57-3.webp)
Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
TL;DR: Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate (CAS 312944-57-3) is a chemical compound with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
Also Known As: BAS 00601079, 2,4-DIETHYL 3-METHYL-5-(3-NITROBENZAMIDO)THIOPHENE-2,4-DICARBOXYLATE, F1018-0517, A0840/0039401, diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
| Molecular Formula | C18H18N2O7S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 3.57042 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.08347 |
| Heavy Atoms | 28 |
| Complexity | 936.0105 |
Chemical Identifiers
| CAS Number | 312944-57-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate (CAS 312944-57-3), with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol. IUPAC: diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
Property Insights of Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
The XLogP value of 3.57042 indicates that Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate?
The CAS number of Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate is 312944-57-3.
What is the molecular formula of Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate?
The molecular formula of Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate is C18H18N2O7S.
What is the molecular weight of Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate?
The molecular weight of Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate is 406.08 g/mol.
Where can I buy Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate?
You can request a quote for Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.