TL;DR: Dotap (CAS 113669-21-9) 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-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethylazanium
Also Known As: DOTAP, Lipofectin, 1,2-Dotap, Dotap chloride, DOTMA
| 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 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC |
| InChIKey | KWVJHCQQUFDPLU-YEUCEMRASA-N |
The XLogP value of 15.1 indicates that Dotap is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dotap exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dotap has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dotap is 113669-21-9.
The molecular formula of Dotap is C42H80NO4+.
The molecular weight of Dotap is 662.60876 g/mol.
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