diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CAS 314029-16-8) is a chemical compound with molecular formula C19H21ClN2O6 and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, Diethyl 4-(2-chloro-4-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C19H21ClN2O6 |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 3.6092 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.10883 |
| Heavy Atoms | 28 |
| Complexity | 850.4101 |
Chemical Identifiers
| CAS Number | 314029-16-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OCC)C)C |
Product Overview
diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CAS 314029-16-8), with molecular formula C19H21ClN2O6 and molecular weight 408.11 g/mol. IUPAC: diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 3.6092 indicates that diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has 1 hydrogen bond donor(s) and 7 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 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is 314029-16-8.
What is the molecular formula of diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is C19H21ClN2O6.
What is the molecular weight of diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is 408.11 g/mol.
Where can I buy diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 4-(2-chloro-4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.