TL;DR: 3'-(Tetradeca-1,3,5,7,9,11-hexaenyloxy)propane-1,2-diol (CAS 127072-58-6) is a chemical compound with molecular formula C17H24O3 and molecular weight 276.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol
Also Known As: 3'-(Tetradeca-1,3,5,7,9,11-hexaenyloxy)propane-1,2-diol, 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol, 1,2-Propanediol, 3-(1,3,5,7,9,11-tetradecahexaenyloxy)-, (all-E)-, 3'-(Tetradeca-1,3,5,7,9,11-hexaenyloxy)propan-1,2-diol, 3-(Tetradeca-1,3,5,7,9,11-hexaenyloxy)propane-1,2-diol
| Molecular Formula | C17H24O3 |
| Molecular Weight | 276.17255 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 276.17255 Da |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
| SMILES | CC/C=C\C=C/C=C\C=C/C=C\C=C/OCC(CO)O |
| InChIKey | OCMYJNQOMOQOQM-KDGSQEETSA-N |
The XLogP value of 3.4 indicates that 3'-(Tetradeca-1,3,5,7,9,11-hexaenyloxy)propane-1,2-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 3'-(Tetradeca-1,3,5,7,9,11-hexaenyloxy)propane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-(Tetradeca-1,3,5,7,9,11-hexaenyloxy)propane-1,2-diol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3'-(Tetradeca-1,3,5,7,9,11-hexaenyloxy)propane-1,2-diol is 127072-58-6.
The molecular formula of 3'-(Tetradeca-1,3,5,7,9,11-hexaenyloxy)propane-1,2-diol is C17H24O3.
The molecular weight of 3'-(Tetradeca-1,3,5,7,9,11-hexaenyloxy)propane-1,2-diol is 276.17255 g/mol.
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