Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
TL;DR: Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS 72284-54-9) is a chemical compound with molecular formula C26H28N2O6 and molecular weight 464.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)- 1-(phenylmethyl)-, diethyl ester, diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-1-(phenylmethyl)-, diethyl ester, Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C26H28N2O6 |
|---|---|
| Molecular Weight | 464.19 g/mol |
| LogP | 4.8684 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.19473 |
| Heavy Atoms | 34 |
| Complexity | 1110.8906 |
Chemical Identifiers
| CAS Number | 72284-54-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)C)CC3=CC=CC=C3)C |
Product Overview
Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS 72284-54-9), with molecular formula C26H28N2O6 and molecular weight 464.19 g/mol. IUPAC: diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
Property Insights of Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
The XLogP value of 4.8684 indicates that Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate 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-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate. Following Lipinski's Rule of Five, Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate 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-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate?
The CAS number of Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate is 72284-54-9.
What is the molecular formula of Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate?
The molecular formula of Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate is C26H28N2O6.
What is the molecular weight of Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate?
The molecular weight of Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate is 464.19 g/mol.
Where can I buy Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate?
You can request a quote for Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.