TL;DR: N,N'-Bis(dimethylamidofluoromethylphosphonite)-diaza-18-crown-6 diiodide (CAS 139194-05-1) is a chemical compound with molecular formula C18H42F2I2N4O4P2 and molecular weight 732.07385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethylamino-[16-(dimethylamino-fluoro-methylphosphaniumyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-fluoro-methylphosphanium diiodide
Also Known As: N,N'-Bis(dimethylamidofluoromethylphosphonite)-diaza-18-crown-6 diiodide, Phosphorus(1+), mu-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyldifluorobis(N-methylmethanaminato)dimethyl-, diiodide, (1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[(dimethylamino)(fluoro)(methyl)phosphanium] diiodide, (1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[(dimethylamino)(fluoro)methylphosphanium] diiodide, dimethylamino-[16-(dimethylamino-fluoro-methylphosphaniumyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-fluoro-methylphosphanium diiodide
| Molecular Formula | C18H42F2I2N4O4P2 |
| Molecular Weight | 732.07385 g/mol |
| XLogP | -3.4746 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 732.07385 Da |
| Heavy Atoms | 32 |
| Complexity | 414.0 |
| SMILES | CN(C)[P+](C)(N1CCOCCOCCN(CCOCCOCC1)[P+](C)(N(C)C)F)F.[I-].[I-] |
| InChIKey | GDPPPZWOUSCROJ-UHFFFAOYSA-L |
The XLogP value of -3.4746 indicates that N,N'-Bis(dimethylamidofluoromethylphosphonite)-diaza-18-crown-6 diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.9 Ų, N,N'-Bis(dimethylamidofluoromethylphosphonite)-diaza-18-crown-6 diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Bis(dimethylamidofluoromethylphosphonite)-diaza-18-crown-6 diiodide has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N'-Bis(dimethylamidofluoromethylphosphonite)-diaza-18-crown-6 diiodide is 139194-05-1.
The molecular formula of N,N'-Bis(dimethylamidofluoromethylphosphonite)-diaza-18-crown-6 diiodide is C18H42F2I2N4O4P2.
The molecular weight of N,N'-Bis(dimethylamidofluoromethylphosphonite)-diaza-18-crown-6 diiodide is 732.07385 g/mol.
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