TL;DR: 14(R),15(S)-Epoxy-(5Z,8Z,11Z)-eicosatrienoic acid (CAS 81276-03-1) is a chemical compound with molecular formula C20H32O3 and molecular weight 320.23514 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid
Also Known As: 14,15-Epoxy-5,8,11-eicosatrienoic acid, 14,15-epoxyeicosatrienoic acid, 14R,15S-EpETrE, 14,15-Eet, 14(15)-EpETrE
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.23514 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 320.23514 Da |
| Heavy Atoms | 23 |
| Complexity | 396.0 |
| SMILES | CCCCCC1C(O1)CC=CCC=CCC=CCCCC(=O)O |
| InChIKey | JBSCUHKPLGKXKH-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 14(R),15(S)-Epoxy-(5Z,8Z,11Z)-eicosatrienoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 14(R),15(S)-Epoxy-(5Z,8Z,11Z)-eicosatrienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 14(R),15(S)-Epoxy-(5Z,8Z,11Z)-eicosatrienoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 14(R),15(S)-Epoxy-(5Z,8Z,11Z)-eicosatrienoic acid is 81276-03-1.
The molecular formula of 14(R),15(S)-Epoxy-(5Z,8Z,11Z)-eicosatrienoic acid is C20H32O3.
The molecular weight of 14(R),15(S)-Epoxy-(5Z,8Z,11Z)-eicosatrienoic acid is 320.23514 g/mol.
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