3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
TL;DR: 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide (CAS 16844-14-7) is a chemical compound with molecular formula C20H16BrNO2 and molecular weight 381.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzoylpyridin-1-ium-1-yl)-1-phenylethanone bromide
Also Known As: 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide, 2-(5-benzoylpyridin-1-yl)-1-phenyl-ethanone Bromide, 2-(3-benzoylpyridin-1-ium-1-yl)-1-phenylethanone,bromide
| Molecular Formula | C20H16BrNO2 |
|---|---|
| Molecular Weight | 381.04 g/mol |
| LogP | 0.092 |
| Topological Polar Surface Area | 38.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.03644 |
| Heavy Atoms | 24 |
| Complexity | 832.5273 |
Chemical Identifiers
| CAS Number | 16844-14-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)C3=CC=CC=C3.[Br-] |
Product Overview
3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide (CAS 16844-14-7), with molecular formula C20H16BrNO2 and molecular weight 381.04 g/mol. IUPAC: 2-(3-benzoylpyridin-1-ium-1-yl)-1-phenylethanone bromide.
Chemical Property Profile of 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
Property Insights of 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
The XLogP value of 0.092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide. With a topological polar surface area (TPSA) of 38.02 Ų, 3-Benzoyl-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-Benzoyl-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-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The CAS number of 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is 16844-14-7.
What is the molecular formula of 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The molecular formula of 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is C20H16BrNO2.
What is the molecular weight of 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The molecular weight of 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is 381.04 g/mol.
Where can I buy 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
You can request a quote for 3-Benzoyl-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-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.