3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
TL;DR: 3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide (CAS 6299-99-6) is a chemical compound with molecular formula C13H11Br2NO and molecular weight 354.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromopyridin-1-ium-1-yl)-1-phenylethanone bromide
Also Known As: 3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide, 3-bromo-1-(2-oxo-2-phenylethyl)pyridinium, 2-(3-bromopyridin-1-ium-1-yl)-1-phenylethanone,bromide, 2-(5-bromopyridin-1-yl)-1-phenyl-ethanone Bromide, 3-bromo-1-(2-oxo-2-phenylethyl)pyridinium bromide
| Molecular Formula | C13H11Br2NO |
|---|---|
| Molecular Weight | 354.92 g/mol |
| LogP | -0.3765 |
| Topological Polar Surface Area | 20.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.92075 |
| Heavy Atoms | 17 |
| Complexity | 499.78247 |
Chemical Identifiers
| CAS Number | 6299-99-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Br.[Br-] |
Product Overview
3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide (CAS 6299-99-6), with molecular formula C13H11Br2NO and molecular weight 354.92 g/mol. IUPAC: 2-(3-bromopyridin-1-ium-1-yl)-1-phenylethanone bromide.
Chemical Property Profile of 3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
Property Insights of 3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
The XLogP value of -0.3765 indicates that 3-Bromo-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 20.95 Ų, 3-Bromo-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-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide has 0 hydrogen bond donor(s) and 1 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-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The CAS number of 3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is 6299-99-6.
What is the molecular formula of 3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The molecular formula of 3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is C13H11Br2NO.
What is the molecular weight of 3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The molecular weight of 3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is 354.92 g/mol.
Where can I buy 3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
You can request a quote for 3-Bromo-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-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.