TL;DR: 4,4'-(Dodecane-1,12-diyl)bis(4-methylmorpholin-4-ium) diiodide (CAS 64039-06-1) is a chemical compound with molecular formula C22H46I2N2O2 and molecular weight 624.16486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-4-[12-(4-methylmorpholin-4-ium-4-yl)dodecyl]morpholin-4-ium diiodide
Also Known As: Morpholinium, 4,4'-dodecamethylenebis(4-methyl-, diiodide, 4,4'-Dodecamethylenebis(4-methylmorpholinium iodide), 4,4'-dodecane-1,12-diylbis(4-methylmorpholin-4-ium) diiodide, 4,4'-(Dodecane-1,12-diyl)bis(4-methylmorpholin-4-ium) diiodide, 4-methyl-4-[12-(4-methylmorpholin-4-ium-4-yl)dodecyl]morpholin-4-ium diiodide
| Molecular Formula | C22H46I2N2O2 |
| Molecular Weight | 624.16486 g/mol |
| XLogP | -2.15 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 624.16486 Da |
| Heavy Atoms | 28 |
| Complexity | 316.0 |
| SMILES | C[N+]1(CCOCC1)CCCCCCCCCCCC[N+]2(CCOCC2)C.[I-].[I-] |
| InChIKey | LFYKIVVWZIBLAT-UHFFFAOYSA-L |
The XLogP value of -2.15 indicates that 4,4'-(Dodecane-1,12-diyl)bis(4-methylmorpholin-4-ium) diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 18.5 Ų, 4,4'-(Dodecane-1,12-diyl)bis(4-methylmorpholin-4-ium) diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-(Dodecane-1,12-diyl)bis(4-methylmorpholin-4-ium) diiodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,4'-(Dodecane-1,12-diyl)bis(4-methylmorpholin-4-ium) diiodide is 64039-06-1.
The molecular formula of 4,4'-(Dodecane-1,12-diyl)bis(4-methylmorpholin-4-ium) diiodide is C22H46I2N2O2.
The molecular weight of 4,4'-(Dodecane-1,12-diyl)bis(4-methylmorpholin-4-ium) diiodide is 624.16486 g/mol.
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