2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride
TL;DR: 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride (CAS 5319-19-7) is a chemical compound with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylimidazol-3-ium-1-yl)-1-phenylethanone chloride
Also Known As: 2-(3-methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride, 2-(3-methylimidazol-1-yl)-1-phenyl-ethanone Chloride, 2-(3-methylimidazol-3-ium-1-yl)-1-phenylethanone chloride, 1-methyl-3-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium chloride, 3-Methyl-1-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium chloride
| Molecular Formula | C12H13ClN2O |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | -1.8005 |
| Topological Polar Surface Area | 25.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07164 |
| Heavy Atoms | 16 |
| Complexity | 464.88083 |
Chemical Identifiers
| CAS Number | 5319-19-7 |
|---|---|
| SMILES | C[N+]1=CN(C=C1)CC(=O)C2=CC=CC=C2.[Cl-] |
Product Overview
2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride (CAS 5319-19-7), with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol. IUPAC: 2-(3-methylimidazol-3-ium-1-yl)-1-phenylethanone chloride.
Chemical Property Profile of 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride
Property Insights of 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride
The XLogP value of -1.8005 indicates that 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.88 Ų, 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride 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 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride?
The CAS number of 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride is 5319-19-7.
What is the molecular formula of 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride?
The molecular formula of 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride is C12H13ClN2O.
What is the molecular weight of 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride?
The molecular weight of 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride is 236.07 g/mol.
Where can I buy 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride?
You can request a quote for 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanone;chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.