TL;DR: 2,3-Dihydroxy-9,13-oxy-7-octadecenoic (CAS 146369-87-1) is a chemical compound with molecular formula C18H32O5 and molecular weight 328.22498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2,3-dihydroxy-8-(6-pentyloxan-2-yl)oct-7-enoic acid
Also Known As: Tetrathermic acid, 2,3-Dihydroxy-9,13-oxy-7-octadecenoic, 2,3-Dihydroxy-9,13-oxy-7-trans-octadecenoic acid, (E)-2,3-dihydroxy-8-(6-pentyloxan-2-yl)oct-7-enoic acid, 7-Octenoic acid, 2,3-dihydroxy-8-(tetrahydro-6-pentyl-2H-pyran-2-yl)-
| Molecular Formula | C18H32O5 |
| Molecular Weight | 328.22498 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 328.22498 Da |
| Heavy Atoms | 23 |
| Complexity | 355.0 |
| SMILES | CCCCCC1CCCC(O1)/C=C/CCCC(C(C(=O)O)O)O |
| InChIKey | FFTXYJMQKWFDRR-UXBLZVDNSA-N |
The XLogP value of 3.2 indicates that 2,3-Dihydroxy-9,13-oxy-7-octadecenoic is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydroxy-9,13-oxy-7-octadecenoic. Following Lipinski's Rule of Five, 2,3-Dihydroxy-9,13-oxy-7-octadecenoic has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-Dihydroxy-9,13-oxy-7-octadecenoic is 146369-87-1.
The molecular formula of 2,3-Dihydroxy-9,13-oxy-7-octadecenoic is C18H32O5.
The molecular weight of 2,3-Dihydroxy-9,13-oxy-7-octadecenoic is 328.22498 g/mol.
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