TL;DR: 2-((1-Oxohexadecyl)oxy)ethyl stearate (CAS 26158-81-6) is a chemical compound with molecular formula C36H70O4 and molecular weight 566.5274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexadecanoyloxyethyl octadecanoate
Also Known As: 2-(Palmitoyloxy)ethyl stearate, 2-((1-Oxohexadecyl)oxy)ethyl stearate, 2-(Palmitoyloxy)ethyl stearate #, 2-[(1-Oxohexadecyl)oxy]ethyl octadecanoate, 2-hexadecanoyloxyethyl octadecanoate
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C36H70O4 |
| Molecular Weight | 566.5274 g/mol |
| XLogP | 15.7 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 35 |
| Exact Mass | 566.5274 Da |
| Heavy Atoms | 40 |
| Complexity | 519.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC |
| InChIKey | ZAFVQJIDGCGDJK-UHFFFAOYSA-N |
The XLogP value of 15.7 indicates that 2-((1-Oxohexadecyl)oxy)ethyl stearate 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-((1-Oxohexadecyl)oxy)ethyl stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((1-Oxohexadecyl)oxy)ethyl stearate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-((1-Oxohexadecyl)oxy)ethyl stearate is 26158-81-6.
The molecular formula of 2-((1-Oxohexadecyl)oxy)ethyl stearate is C36H70O4.
The molecular weight of 2-((1-Oxohexadecyl)oxy)ethyl stearate is 566.5274 g/mol.
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