Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt
TL;DR: Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt (CAS 304876-63-9) is a chemical compound with molecular formula C17H11N3O and molecular weight 273.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyano-5-oxo-5-phenyl-4-pyridin-1-ium-1-ylpenta-1,3-dienylidene)azanide
Also Known As: Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt, 1,1-Dicyano-4-oxo-4-phenyl-3-(pyridin-1-ium-1-yl)but-2-en-1-ide
| Molecular Formula | C17H11N3O |
|---|---|
| Molecular Weight | 273.09 g/mol |
| LogP | 2.38698 |
| Topological Polar Surface Area | 67.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.0902 |
| Heavy Atoms | 21 |
| Complexity | 764.68744 |
Chemical Identifiers
| CAS Number | 304876-63-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=CC(=C=[N-])C#N)[N+]2=CC=CC=C2 |
Product Overview
Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt (CAS 304876-63-9), with molecular formula C17H11N3O and molecular weight 273.09 g/mol. IUPAC: (2-cyano-5-oxo-5-phenyl-4-pyridin-1-ium-1-ylpenta-1,3-dienylidene)azanide.
Chemical Property Profile of Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt
Property Insights of Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt
The XLogP value of 2.38698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt. The TPSA of 67.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt. Following Lipinski's Rule of Five, Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt has 0 hydrogen bond donor(s) and 2 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 Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt?
The CAS number of Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt is 304876-63-9.
What is the molecular formula of Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt?
The molecular formula of Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt is C17H11N3O.
What is the molecular weight of Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt?
The molecular weight of Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt is 273.09 g/mol.
Where can I buy Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt?
You can request a quote for Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1-(1-benzoyl-3,3-dicyano-1-propen-1-yl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.