TL;DR: RefChem:318610 (CAS 63977-57-1) is a chemical compound with molecular formula C15H36I2N2O and molecular weight 514.09174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[diethyl(methyl)azaniumyl]ethoxy]propyl-diethyl-methylazanium diiodide
Also Known As: Ro 2-3582, Ammonium, (((2-(diethylmethylammonio)-1-methyl)ethoxy)ethyl)diethylmethyl-, diiodide, Ammonium, ((2-(2-(diethylmethylammonio)ethoxy)-2-methyl)ethyl)diethylmethyl-, diiodide, 2-{2-[diethyl(methyl)ammonio]ethoxy}-n,n-diethyl-n-methylpropan-1-aminium diiodide, 2-[2-[diethyl(methyl)azaniumyl]ethoxy]propyl-diethyl-methylazanium diiodide
| Molecular Formula | C15H36I2N2O |
| Molecular Weight | 514.09174 g/mol |
| XLogP | -3.63 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 514.09174 Da |
| Heavy Atoms | 20 |
| Complexity | 211.0 |
| SMILES | CC[N+](C)(CC)CCOC(C)C[N+](C)(CC)CC.[I-].[I-] |
| InChIKey | JAXBWZFTSGZBRI-UHFFFAOYSA-L |
The XLogP value of -3.63 indicates that RefChem:318610 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.2 Ų, RefChem:318610 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318610 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:318610 is 63977-57-1.
The molecular formula of RefChem:318610 is C15H36I2N2O.
The molecular weight of RefChem:318610 is 514.09174 g/mol.
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