2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride
TL;DR: 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride (CAS 73825-51-1) is a chemical compound with molecular formula C17H14ClNO and molecular weight 283.0764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-isoquinolin-2-ium-2-yl-1-phenylethanone chloride
Also Known As: 2-Phenacylisoquinolinium chloride, ISOQUINOLINIUM, 2-PHENACYL-, CHLORIDE, 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride, 2-isoquinolin-2-ium-2-yl-1-phenylethanone chloride, Isoquinolinium, 2-(2-oxo-2-phenylethyl)-, chloride
Technical Specifications
| Molecular Formula | C17H14ClNO |
| Molecular Weight | 283.0764 g/mol |
| XLogP | 0.01 |
| Topological Polar Surface Area (TPSA) | 21.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0764 Da |
| Heavy Atoms | 20 |
| Complexity | 308.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-] |
| InChIKey | YGUHRYCERCMKSD-UHFFFAOYSA-M |
Chemical Property Profile of 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride
Property Insights of 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride
The XLogP value of 0.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride. With a topological polar surface area (TPSA) of 21.0 Ų, 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride 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
What is the CAS number of 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride?
The CAS number of 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride is 73825-51-1.
What is the molecular formula of 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride?
The molecular formula of 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride is C17H14ClNO.
What is the molecular weight of 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride?
The molecular weight of 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride is 283.0764 g/mol.
Where can I buy 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride?
You can request a quote for 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride?
Yes, CoreyChem provides custom synthesis services for 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.