TL;DR: 2-Ethyl-2-(((1-oxohexadecyl)oxy)methyl)propane-1,3-diyl bispalmitate (CAS 15590-11-1) is a chemical compound with molecular formula C54H104O6 and molecular weight 848.78326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-bis(hexadecanoyloxymethyl)butyl hexadecanoate
Also Known As: 2,2-bis(hexadecanoyloxymethyl)butyl hexadecanoate, 2,2-bis[(palmitoyloxy)methyl]butyl palmitate, 2-Ethyl-2-(((1-oxohexadecyl)oxy)methyl)propane-1,3-diyl bispalmitate, 2,2-BIS[(HEXADECANOYLOXY)METHYL]BUTYL HEXADECANOATE, 2-ETHYL-2-[[(1-OXOHEXADECYL)OXY]METHYL]PROPANE-1,3-DIYL BISPALMITATE
| Molecular Formula | C54H104O6 |
| Molecular Weight | 848.78326 g/mol |
| XLogP | 22.9 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 52 |
| Exact Mass | 848.78326 Da |
| Heavy Atoms | 60 |
| Complexity | 806.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC |
| InChIKey | SNVRYGMDRIKHED-UHFFFAOYSA-N |
The XLogP value of 22.9 indicates that 2-Ethyl-2-(((1-oxohexadecyl)oxy)methyl)propane-1,3-diyl bispalmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-2-(((1-oxohexadecyl)oxy)methyl)propane-1,3-diyl bispalmitate. Following Lipinski's Rule of Five, 2-Ethyl-2-(((1-oxohexadecyl)oxy)methyl)propane-1,3-diyl bispalmitate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Ethyl-2-(((1-oxohexadecyl)oxy)methyl)propane-1,3-diyl bispalmitate is 15590-11-1.
The molecular formula of 2-Ethyl-2-(((1-oxohexadecyl)oxy)methyl)propane-1,3-diyl bispalmitate is C54H104O6.
The molecular weight of 2-Ethyl-2-(((1-oxohexadecyl)oxy)methyl)propane-1,3-diyl bispalmitate is 848.78326 g/mol.
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