TL;DR: 3-(6-(3-Hydroxy-1,5-undecadienyl)-2-pyridinyl)-oxiranebutanol (CAS 118867-16-6) is a chemical compound with molecular formula C22H33NO3 and molecular weight 359.24603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1E,5E)-1-[6-[3-(4-hydroxybutyl)oxiran-2-yl]-2-pyridinyl]undeca-1,5-dien-3-ol
Also Known As: U-75485, 3-(6-(3-Hydroxy-1,5-undecadienyl)-2-pyridinyl)-oxiranebutanol, U 75485, (1E,5E)-1-[6-[3-(4-hydroxybutyl)oxiran-2-yl]pyridin-2-yl]undeca-1,5-dien-3-ol, Oxiranebutanol, 3-(6-(3-hydroxy-1,5-undecadienyl)-2-pyridinyl)-
| Molecular Formula | C22H33NO3 |
| Molecular Weight | 359.24603 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 359.24603 Da |
| Heavy Atoms | 26 |
| Complexity | 424.0 |
| SMILES | CCCCC/C=C/CC(/C=C/C1=NC(=CC=C1)C2C(O2)CCCCO)O |
| InChIKey | VXUPCZYKYJVAAG-OOSDOLGSSA-N |
The XLogP value of 4.0 indicates that 3-(6-(3-Hydroxy-1,5-undecadienyl)-2-pyridinyl)-oxiranebutanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-(3-Hydroxy-1,5-undecadienyl)-2-pyridinyl)-oxiranebutanol. Following Lipinski's Rule of Five, 3-(6-(3-Hydroxy-1,5-undecadienyl)-2-pyridinyl)-oxiranebutanol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(6-(3-Hydroxy-1,5-undecadienyl)-2-pyridinyl)-oxiranebutanol is 118867-16-6.
The molecular formula of 3-(6-(3-Hydroxy-1,5-undecadienyl)-2-pyridinyl)-oxiranebutanol is C22H33NO3.
The molecular weight of 3-(6-(3-Hydroxy-1,5-undecadienyl)-2-pyridinyl)-oxiranebutanol is 359.24603 g/mol.
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