TL;DR: 2,3-Epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate (CAS 63907-12-0) is a chemical compound with molecular formula C26H48O4 and molecular weight 424.35526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-ethyl-3-propyloxiran-2-yl)methyl 8-(3-octyloxiran-2-yl)octanoate
Also Known As: 2,3-Epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate, 18-Fluorooctadecanoic acid,sodium salt, OCTADECANOIC ACID, 9,10-EPOXY-, 2,3-EPOXY-2-ETHYLHEXYL ESTER, (2-ethyl-3-propyloxiran-2-yl)methyl 8-(3-octyloxiran-2-yl)octanoate, 9,10-Epoxyoctadecanoic acid 3-propyl-2-ethyloxiranylmethyl ester
| Molecular Formula | C26H48O4 |
| Molecular Weight | 424.35526 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 51.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 424.35526 Da |
| Heavy Atoms | 30 |
| Complexity | 466.0 |
| SMILES | CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC2(C(O2)CCC)CC |
| InChIKey | VVTGLOLVCWBTSW-UHFFFAOYSA-N |
The XLogP value of 8.2 indicates that 2,3-Epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.4 Ų, 2,3-Epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate 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-Epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate is 63907-12-0.
The molecular formula of 2,3-Epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate is C26H48O4.
The molecular weight of 2,3-Epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate is 424.35526 g/mol.
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