1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine
TL;DR: 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine (CAS 2590-87-6) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[(4-nitrophenyl)methylidene]pyridine
Also Known As: 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine, 1-methyl-4-[(4-nitrophenyl)methylidene]pyridine, 1-methyl-4-[(4-nitrophenyl)methylidene]-1,4-dihydropyridine, 666-788-9, RefChem:434340
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.951 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 496.72592 |
Chemical Identifiers
| CAS Number | 2590-87-6 |
|---|---|
| SMILES | CN1C=CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C=C1 |
Product Overview
1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine (CAS 2590-87-6), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 1-methyl-4-[(4-nitrophenyl)methylidene]pyridine.
Chemical Property Profile of 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine
Property Insights of 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine
The XLogP value of 2.951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine. With a topological polar surface area (TPSA) of 46.38 Ų, 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine has 0 hydrogen bond donor(s) and 3 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 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine?
The CAS number of 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine is 2590-87-6.
What is the molecular formula of 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine?
The molecular formula of 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine is C13H12N2O2.
What is the molecular weight of 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine?
The molecular weight of 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine is 228.09 g/mol.
Where can I buy 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine?
You can request a quote for 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.