![1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one structure](/static/products/304/304876-11-7.png)
1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one
TL;DR: 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one (CAS 304876-11-7) is a chemical compound with molecular formula C34H44N2O4 and molecular weight 544.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-benzyl-4-(3-nitrophenyl)-5-octanoyl-4H-pyridin-3-yl]octan-1-one
Also Known As: 1-[1-benzyl-4-(3-nitrophenyl)-5-octanoyl-4H-pyridin-3-yl]octan-1-one, 1,1'-(1-benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)bis(octan-1-one), 1,1'-[1-benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one
| Molecular Formula | C34H44N2O4 |
|---|---|
| Molecular Weight | 544.33 g/mol |
| LogP | 8.8212 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 544.3301 |
| Heavy Atoms | 40 |
| Complexity | 1141.4376 |
Chemical Identifiers
| CAS Number | 304876-11-7 |
|---|---|
| SMILES | CCCCCCCC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CCCCCCC)CC3=CC=CC=C3 |
Product Overview
1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one (CAS 304876-11-7), with molecular formula C34H44N2O4 and molecular weight 544.33 g/mol. IUPAC: 1-[1-benzyl-4-(3-nitrophenyl)-5-octanoyl-4H-pyridin-3-yl]octan-1-one.
Chemical Property Profile of 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one
Property Insights of 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one
The XLogP value of 8.8212 indicates that 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one. Following Lipinski's Rule of Five, 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one?
The CAS number of 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one is 304876-11-7.
What is the molecular formula of 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one?
The molecular formula of 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one is C34H44N2O4.
What is the molecular weight of 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one?
The molecular weight of 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one is 544.33 g/mol.
Where can I buy 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one?
You can request a quote for 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-[1-Benzyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]dioctan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.