Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
TL;DR: Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 301682-02-0) is a chemical compound with molecular formula C18H17ClN2O7S and molecular weight 440.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(4-chloro-3-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: BAS 00839475, AF-399/32358037, diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate, diethyl 5-[(4-chloro-3-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate, DIETHYL 5-((4-CHLORO-3-NITROBENZOYL)AMINO)-3-METHYL-2,4-THIOPHENEDICARBOXYLATE
| Molecular Formula | C18H17ClN2O7S |
|---|---|
| Molecular Weight | 440.04 g/mol |
| LogP | 4.22382 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.0445 |
| Heavy Atoms | 29 |
| Complexity | 986.8295 |
Chemical Identifiers
| CAS Number | 301682-02-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 301682-02-0), with molecular formula C18H17ClN2O7S and molecular weight 440.04 g/mol. IUPAC: diethyl 5-[(4-chloro-3-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Property Insights of Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 4.22382 indicates that Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate 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 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate 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 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 301682-02-0.
What is the molecular formula of Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is C18H17ClN2O7S.
What is the molecular weight of Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 440.04 g/mol.
Where can I buy Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for Diethyl 5-({4-chloro-3-nitrobenzoyl}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 Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-({4-chloro-3-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.