TL;DR: Disiquonium (CAS 114431-91-3) is a chemical compound with molecular formula C27H60NO3Si+ and molecular weight 474.43423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
didecyl-methyl-(3-trimethoxysilylpropyl)azanium
Also Known As: Disiquonium, Disiquonium ion, Disiquonium cation, Disiquonium [WHO-DD], Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C27H60NO3Si+ |
| Molecular Weight | 474.43423 g/mol |
| XLogP | 7.98 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 25 |
| Exact Mass | 474.43423 Da |
| Heavy Atoms | 32 |
| Complexity | 363.0 |
| SMILES | CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC |
| InChIKey | CZIAHOKVOQSYHN-UHFFFAOYSA-N |
The XLogP value of 7.98 indicates that Disiquonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Disiquonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Disiquonium has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Disiquonium is 114431-91-3.
The molecular formula of Disiquonium is C27H60NO3Si+.
The molecular weight of Disiquonium is 474.43423 g/mol.
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