TL;DR: RefChem:319413 (CAS 63977-66-2) is a chemical compound with molecular formula C14H34I2N2O and molecular weight 500.07605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-methyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium diiodide
Also Known As: AS-17,842, Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-oxybis(trimethylene)di-, diiodide, diethyl-methyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium diiodide, 1-Propanaminium, N,N-diethyl-N-methyl-3-[3-(trimethylammonio)propoxy]-, diiodide, 3-{3-[Diethyl(methyl)azaniumyl]propoxy}-N,N,N-trimethylpropan-1-aminium diiodide
| Molecular Formula | C14H34I2N2O |
| Molecular Weight | 500.07605 g/mol |
| XLogP | -4.02 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.07605 Da |
| Heavy Atoms | 19 |
| Complexity | 183.0 |
| SMILES | CC[N+](C)(CC)CCCOCCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | KDJPXQUBHNBSKZ-UHFFFAOYSA-L |
The XLogP value of -4.02 indicates that RefChem:319413 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:319413 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319413 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:319413 is 63977-66-2.
The molecular formula of RefChem:319413 is C14H34I2N2O.
The molecular weight of RefChem:319413 is 500.07605 g/mol.
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