7-Acetoxy-1-methylquinolinium iodide
TL;DR: 7-Acetoxy-1-methylquinolinium iodide (CAS 168080-93-1) is a chemical compound with molecular formula C12H12INO2 and molecular weight 328.99127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylquinolin-1-ium-7-yl) acetate iodide
Also Known As: AMQI, 7-Acetoxy-1-methylquinolinium iodide, Benzatropine, 7-Acetoxy-1-methylquinoliniumiodide, 3-bromo-5-chloro-2-methoxyaniline
Technical Specifications
| Molecular Formula | C12H12INO2 |
| Molecular Weight | 328.99127 g/mol |
| XLogP | -1.4064 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.99127 Da |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
| SMILES | CC(=O)OC1=CC2=C(C=CC=[N+]2C)C=C1.[I-] |
| InChIKey | IFUAVRXVEJBLFI-UHFFFAOYSA-M |
Chemical Property Profile of 7-Acetoxy-1-methylquinolinium iodide
Property Insights of 7-Acetoxy-1-methylquinolinium iodide
The XLogP value of -1.4064 indicates that 7-Acetoxy-1-methylquinolinium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.2 Ų, 7-Acetoxy-1-methylquinolinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Acetoxy-1-methylquinolinium iodide 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
What is the CAS number of 7-Acetoxy-1-methylquinolinium iodide?
The CAS number of 7-Acetoxy-1-methylquinolinium iodide is 168080-93-1.
What is the molecular formula of 7-Acetoxy-1-methylquinolinium iodide?
The molecular formula of 7-Acetoxy-1-methylquinolinium iodide is C12H12INO2.
What is the molecular weight of 7-Acetoxy-1-methylquinolinium iodide?
The molecular weight of 7-Acetoxy-1-methylquinolinium iodide is 328.99127 g/mol.
Where can I buy 7-Acetoxy-1-methylquinolinium iodide?
You can request a quote for 7-Acetoxy-1-methylquinolinium iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Acetoxy-1-methylquinolinium iodide?
Yes, CoreyChem provides custom synthesis services for 7-Acetoxy-1-methylquinolinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.