TL;DR: 2-((2-(Dimethyl(3-(trimethylsilyl)propyl)ammonio)ethoxy)carbonyl)-1-methylquinolinium diiodide (CAS 113611-73-7) is a chemical compound with molecular formula C21H34I2N2O2Si and molecular weight 628.0479 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[2-(1-methylquinolin-1-ium-2-carbonyl)oxyethyl]-(3-trimethylsilylpropyl)azanium diiodide
Also Known As: 2-((2-(Dimethyl(3-(trimethylsilyl)propyl)ammonio)ethoxy)carbonyl)-1-methylquinolinium diiodide, 2-((N-Methyl-N-trimethylsilylpropyl)amino)ethylquinoline-2-carboxylate bismethiodide, Quinolinium, 2-((2-(dimethyl(3-(trimethylsilyl)propyl)ammonio)ethoxy)carbonyl)-1-methyl-, diiodide, 2-[(2-{Dimethyl[3-(trimethylsilyl)propyl]azaniumyl}ethoxy)carbonyl]-1-methylquinolin-1-ium diiodide, dimethyl-[2-(1-methylquinolin-1-ium-2-carbonyl)oxyethyl]-(3-trimethylsilylpropyl)azanium diiodide
| Molecular Formula | C21H34I2N2O2Si |
| Molecular Weight | 628.0479 g/mol |
| XLogP | -2.3662 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 628.0479 Da |
| Heavy Atoms | 28 |
| Complexity | 461.0 |
| SMILES | C[N+]1=C(C=CC2=CC=CC=C21)C(=O)OCC[N+](C)(C)CCC[Si](C)(C)C.[I-].[I-] |
| InChIKey | YJELRXKWTNQZHX-UHFFFAOYSA-L |
The XLogP value of -2.3662 indicates that 2-((2-(Dimethyl(3-(trimethylsilyl)propyl)ammonio)ethoxy)carbonyl)-1-methylquinolinium diiodide 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, 2-((2-(Dimethyl(3-(trimethylsilyl)propyl)ammonio)ethoxy)carbonyl)-1-methylquinolinium diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(Dimethyl(3-(trimethylsilyl)propyl)ammonio)ethoxy)carbonyl)-1-methylquinolinium diiodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-((2-(Dimethyl(3-(trimethylsilyl)propyl)ammonio)ethoxy)carbonyl)-1-methylquinolinium diiodide is 113611-73-7.
The molecular formula of 2-((2-(Dimethyl(3-(trimethylsilyl)propyl)ammonio)ethoxy)carbonyl)-1-methylquinolinium diiodide is C21H34I2N2O2Si.
The molecular weight of 2-((2-(Dimethyl(3-(trimethylsilyl)propyl)ammonio)ethoxy)carbonyl)-1-methylquinolinium diiodide is 628.0479 g/mol.
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