3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
TL;DR: 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide (CAS 25357-46-4) is a chemical compound with molecular formula C14H11BrN2O and molecular weight 302.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenacylpyridin-1-ium-3-carbonitrile bromide
Also Known As: N-(phenacyl) 3-cyanopyridinium bromide, 1-phenacylpyridine-5-carbonitrile Bromide, 1-phenacylpyridin-1-ium-3-carbonitrile bromide, 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide, Pyridinium, 3-cyano-1-(2-oxo-2-phenylethyl)-, bromide
| Molecular Formula | C14H11BrN2O |
|---|---|
| Molecular Weight | 302.01 g/mol |
| LogP | -1.26732 |
| Topological Polar Surface Area | 44.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.0055 |
| Heavy Atoms | 18 |
| Complexity | 575.8479 |
Chemical Identifiers
| CAS Number | 25357-46-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C#N.[Br-] |
Product Overview
3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide (CAS 25357-46-4), with molecular formula C14H11BrN2O and molecular weight 302.01 g/mol. IUPAC: 1-phenacylpyridin-1-ium-3-carbonitrile bromide.
Chemical Property Profile of 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
Property Insights of 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
The XLogP value of -1.26732 indicates that 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.74 Ų, 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide 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 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The CAS number of 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is 25357-46-4.
What is the molecular formula of 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The molecular formula of 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is C14H11BrN2O.
What is the molecular weight of 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The molecular weight of 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is 302.01 g/mol.
Where can I buy 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
You can request a quote for 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.