3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
TL;DR: 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide (CAS 26535-84-2) is a chemical compound with molecular formula C16H16BrNO3 and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide
Also Known As: ethyl 1-phenacylpyridin-1-ium-3-carboxylate;bromide, 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide, ethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide, ethyl 1-phenacylpyridin-1-ium-3-carboxylate,bromide, 3-Ethoxycarbonyl-1-(2-oxo-2-phenyl-ethyl)-pyridinium
| Molecular Formula | C16H16BrNO3 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | -0.9623 |
| Topological Polar Surface Area | 47.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.03137 |
| Heavy Atoms | 21 |
| Complexity | 613.92896 |
Chemical Identifiers
| CAS Number | 26535-84-2 |
|---|---|
| SMILES | CCOC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=CC=C2.[Br-] |
Product Overview
3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide (CAS 26535-84-2), with molecular formula C16H16BrNO3 and molecular weight 349.03 g/mol. IUPAC: ethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide.
Chemical Property Profile of 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
Property Insights of 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
The XLogP value of -0.9623 indicates that 3-(Ethoxycarbonyl)-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 47.25 Ų, 3-(Ethoxycarbonyl)-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-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide 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 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The CAS number of 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is 26535-84-2.
What is the molecular formula of 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The molecular formula of 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is C16H16BrNO3.
What is the molecular weight of 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
The molecular weight of 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide is 349.03 g/mol.
Where can I buy 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
You can request a quote for 3-(Ethoxycarbonyl)-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-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.