Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 693828-27-2) is a chemical compound with molecular formula C19H22N2O6 and molecular weight 374.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-butyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 1-butyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate, methyl 1-butyl-5-(methoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-car boxylate
| Molecular Formula | C19H22N2O6 |
|---|---|
| Molecular Weight | 374.15 g/mol |
| LogP | 2.9079 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.1478 |
| Heavy Atoms | 27 |
| Complexity | 765.14453 |
Chemical Identifiers
| CAS Number | 693828-27-2 |
|---|---|
| SMILES | CCCCN1C=C(C(C(=C1)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 693828-27-2), with molecular formula C19H22N2O6 and molecular weight 374.15 g/mol. IUPAC: dimethyl 1-butyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 2.9079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1-butyl-4-(3-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 Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 693828-27-2.
What is the molecular formula of Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is C19H22N2O6.
What is the molecular weight of Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 374.15 g/mol.
Where can I buy Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for Dimethyl 1-butyl-4-(3-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 Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-butyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.