TL;DR: Dykellic Acid (CAS 1097679-78-1) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-methylidene-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]pyran-3-yl]propanoic acid
Also Known As: Dykellic acid, HY-N14739, J1.171.369F, 3-[5-methylidene-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]pyran-3-yl]propanoic Acid, 2-Oxo-5-methylene-6-[(1E,3E)-1,3-pentadienyl]-5,6-dihydro-2H-pyran-3-propionic acid
| Molecular Formula | C14H16O4 |
| Molecular Weight | 248.10486 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.10486 Da |
| Heavy Atoms | 18 |
| Complexity | 441.0 |
| SMILES | C/C=C/C=C/C1C(=C)C=C(C(=O)O1)CCC(=O)O |
| InChIKey | XMBYWWHLSMXSPA-VNKDHWASSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dykellic Acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dykellic Acid. Following Lipinski's Rule of Five, Dykellic Acid has 1 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 Dykellic Acid is 1097679-78-1.
The molecular formula of Dykellic Acid is C14H16O4.
The molecular weight of Dykellic Acid is 248.10486 g/mol.
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