Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 423144-31-4) is a chemical compound with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(4-nitrophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate
Also Known As: diethyl 4-(4-nitrophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate, diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, diethyl 4-(4-nitrophenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-DIETHYL 4-(4-NITROPHENYL)-1-(PROPAN-2-YL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, ethyl 5-(ethoxycarbonyl)-1-(methylethyl)-4-(4-nitrophenyl)-1,4-dihydropyridine -3-carboxylate
| Molecular Formula | C20H24N2O6 |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 3.2964 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.16342 |
| Heavy Atoms | 28 |
| Complexity | 774.48975 |
Chemical Identifiers
| CAS Number | 423144-31-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C(C)C |
Product Overview
Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 423144-31-4), with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol. IUPAC: diethyl 4-(4-nitrophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 3.2964 indicates that Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate has 0 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 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 423144-31-4.
What is the molecular formula of Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is C20H24N2O6.
What is the molecular weight of Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 388.16 g/mol.
Where can I buy Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for Diethyl 1-isopropyl-4-(4-nitrophenyl)-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 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-isopropyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.