2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine
TL;DR: 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine (CAS 333344-92-6) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-nitrophenyl)methanone
Also Known As: 2,6-diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine, AN-329/12072597, 2,6-Diallyl-1-(2-nitrobenzoyl)-1,2,3,6-tetrahydropyridine, 2,6-Diallyl-1-(2-nitrobenzoyl)-1,2,3,6-tetrahydropyridine #, [2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-nitrophenyl)methanone
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 333344-92-6 |
|---|---|
| SMILES | C=CCC1CC=CC(N1C(=O)C2=CC=CC=C2[N+](=O)[O-])CC=C |
| InChIKey | NFAXFQGMLZCARZ-UHFFFAOYSA-N |
Product Overview
2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine (CAS 333344-92-6), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: [2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-nitrophenyl)methanone.
Chemical Property Profile of 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine
Property Insights of 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine
The XLogP value of 4.2 indicates that 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine. Following Lipinski's Rule of Five, 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine 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 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine?
The CAS number of 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine is 333344-92-6.
What is the molecular formula of 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine?
The molecular formula of 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine is C18H20N2O3.
What is the molecular weight of 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine?
The molecular weight of 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine is 312.15 g/mol.
Where can I buy 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine?
You can request a quote for 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.