TL;DR: N,N'-Tetramethyldiamidophosphite-aza-18-crown-6 diiodide (CAS 139194-01-7) is a chemical compound with molecular formula C22H54I2N6O4P2 and molecular weight 782.1771 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[16-[bis(dimethylamino)-methylphosphaniumyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-bis(dimethylamino)-methylphosphanium diiodide
Also Known As: N,N'-Tetramethyldiamidophosphite-aza-18-crown-6 diiodide, Phosphorus(1+), mu-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyltetrakis(N-methylmethanaminato)dimethyl-, diiodide, [16-(bis(dimethylamino)-methyl-phosphaniumyl)-1,4,10,13-tetraoxa-7,16- diazacyclooctadec-7-yl]-bis(d, [16-[bis(dimethylamino)-methylphosphaniumyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-bis(dimethylamino)-methylphosphanium;diiodide, (1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[bis(dimethylamino)(methyl)phosphanium] diiodide
| Molecular Formula | C22H54I2N6O4P2 |
| Molecular Weight | 782.1771 g/mol |
| XLogP | -4.2904 |
| Topological Polar Surface Area (TPSA) | 56.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 782.1771 Da |
| Heavy Atoms | 36 |
| Complexity | 464.0 |
| SMILES | CN(C)[P+](C)(N1CCOCCOCCN(CCOCCOCC1)[P+](C)(N(C)C)N(C)C)N(C)C.[I-].[I-] |
| InChIKey | SMJQVIXJFAEWMG-UHFFFAOYSA-L |
The XLogP value of -4.2904 indicates that N,N'-Tetramethyldiamidophosphite-aza-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 56.4 Ų, N,N'-Tetramethyldiamidophosphite-aza-18-crown-6 diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Tetramethyldiamidophosphite-aza-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'-Tetramethyldiamidophosphite-aza-18-crown-6 diiodide is 139194-01-7.
The molecular formula of N,N'-Tetramethyldiamidophosphite-aza-18-crown-6 diiodide is C22H54I2N6O4P2.
The molecular weight of N,N'-Tetramethyldiamidophosphite-aza-18-crown-6 diiodide is 782.1771 g/mol.
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