TL;DR: N-(Tetramethyldiamidomethylphosphonite)-aza-15-crown-5-iodide (CAS 139194-04-0) is a chemical compound with molecular formula C15H35IN3O4P and molecular weight 479.141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(dimethylamino)-methyl-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phosphanium iodide
Also Known As: N-(Tetramethyldiamidomethylphosphonite)-aza-15-crown-5-iodide, Phosphorus(1+), bis(N-methylmethanaminato)methyl(1,4,7,10-tetraoxa-13-azacyclopentadecanato-N)-, iodide, (T-4)-, Bis(dimethylamino)(methyl)(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phosphanium iodide, bis(dimethylamino)-methyl-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phosphanium;iodide, BIS(DIMETHYLAMINO)-METHYL-(1,4,7,10-TETRAOXA-13-AZACYCLOPENTADEC-13-YL )PHOSPHANIUM IODIDE
| Molecular Formula | C15H35IN3O4P |
| Molecular Weight | 479.141 g/mol |
| XLogP | -2.112 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 479.141 Da |
| Heavy Atoms | 24 |
| Complexity | 284.0 |
| SMILES | CN(C)[P+](C)(N1CCOCCOCCOCCOCC1)N(C)C.[I-] |
| InChIKey | IZZIMVMGVYTEAX-UHFFFAOYSA-M |
The XLogP value of -2.112 indicates that N-(Tetramethyldiamidomethylphosphonite)-aza-15-crown-5-iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.6 Ų, N-(Tetramethyldiamidomethylphosphonite)-aza-15-crown-5-iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Tetramethyldiamidomethylphosphonite)-aza-15-crown-5-iodide has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(Tetramethyldiamidomethylphosphonite)-aza-15-crown-5-iodide is 139194-04-0.
The molecular formula of N-(Tetramethyldiamidomethylphosphonite)-aza-15-crown-5-iodide is C15H35IN3O4P.
The molecular weight of N-(Tetramethyldiamidomethylphosphonite)-aza-15-crown-5-iodide is 479.141 g/mol.
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