TL;DR: 2,3-Di(octadec-9-enoyloxy)propyl-trimethylazanium (CAS 132172-61-3) is a chemical compound with molecular formula C42H80NO4+ and molecular weight 662.60876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-di(octadec-9-enoyloxy)propyl-trimethylazanium
Also Known As: Dotap chloride, DOTAP, (+/-)-Dotap chloride, Dotap chloride, (+/-)-, 1,2-Dioleoyl-3-trimethylammonium-propane, Chloride
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C42H80NO4+ |
| Molecular Weight | 662.60876 g/mol |
| XLogP | 15.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 37 |
| Exact Mass | 662.60876 Da |
| Heavy Atoms | 47 |
| Complexity | 754.0 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC |
| InChIKey | KWVJHCQQUFDPLU-UHFFFAOYSA-N |
The XLogP value of 15.1 indicates that 2,3-Di(octadec-9-enoyloxy)propyl-trimethylazanium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,3-Di(octadec-9-enoyloxy)propyl-trimethylazanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Di(octadec-9-enoyloxy)propyl-trimethylazanium has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,3-Di(octadec-9-enoyloxy)propyl-trimethylazanium is 132172-61-3.
The molecular formula of 2,3-Di(octadec-9-enoyloxy)propyl-trimethylazanium is C42H80NO4+.
The molecular weight of 2,3-Di(octadec-9-enoyloxy)propyl-trimethylazanium is 662.60876 g/mol.
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