TL;DR: Ammonium, N-ethyl-N,N,N',N',N'-pentamethyl-N,N'-oxydiethylenedi-, diiodide (CAS 63981-98-6) is a chemical compound with molecular formula C11H28I2N2O and molecular weight 458.0291 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl-dimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide
Also Known As: AS-12,045, AMMONIUM, N-ETHYL-N,N,N',N',N'-PENTAMETHYL-N,N'-OXYDIETHYLENEDI-, DIIODIDE, ethyl-dimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide, 2-{2-[Ethyl(dimethyl)azaniumyl]ethoxy}-N,N,N-trimethylethan-1-aminium diiodide, 2-{2-[Ethyldi(methyl)azaniumyl]ethoxy}-N,N,N-trimethylethan-1-aminium diiodide
| Molecular Formula | C11H28I2N2O |
| Molecular Weight | 458.0291 g/mol |
| XLogP | -5.19 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.0291 Da |
| Heavy Atoms | 16 |
| Complexity | 150.0 |
| SMILES | CC[N+](C)(C)CCOCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | XXLCXPJFZSMOBW-UHFFFAOYSA-L |
The XLogP value of -5.19 indicates that Ammonium, N-ethyl-N,N,N',N',N'-pentamethyl-N,N'-oxydiethylenedi-, diiodide 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, Ammonium, N-ethyl-N,N,N',N',N'-pentamethyl-N,N'-oxydiethylenedi-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, N-ethyl-N,N,N',N',N'-pentamethyl-N,N'-oxydiethylenedi-, diiodide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, N-ethyl-N,N,N',N',N'-pentamethyl-N,N'-oxydiethylenedi-, diiodide is 63981-98-6.
The molecular formula of Ammonium, N-ethyl-N,N,N',N',N'-pentamethyl-N,N'-oxydiethylenedi-, diiodide is C11H28I2N2O.
The molecular weight of Ammonium, N-ethyl-N,N,N',N',N'-pentamethyl-N,N'-oxydiethylenedi-, diiodide is 458.0291 g/mol.
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