TL;DR: 6-Methyl-4-[4-(6-methyl-2-oxopyran-4-yloxy)butoxy]pyran-2-one (CAS 163132-17-0) is a chemical compound with molecular formula C16H18O6 and molecular weight 306.11035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-4-[4-(2-methyl-6-oxopyran-4-yl)oxybutoxy]pyran-2-one
Also Known As: J1.604.217J, 6-methyl-4-[4-(2-methyl-6-oxopyran-4-yl)oxybutoxy]pyran-2-one, 6-methyl-4-[4-(6-methyl-2-oxopyran-4-yloxy)butoxy]pyran-2-one, 2H-Pyran-2-one, 4,4'-[1,4-butanediylbis(oxy)]bis[6-methyl-, 4,4 -(1,4-Butanediylbisoxy)bis(6-methyl-2H-pyran-2-one)
| Molecular Formula | C16H18O6 |
| Molecular Weight | 306.11035 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.11035 Da |
| Heavy Atoms | 22 |
| Complexity | 527.0 |
| SMILES | CC1=CC(=CC(=O)O1)OCCCCOC2=CC(=O)OC(=C2)C |
| InChIKey | FGTIRYKMHYPKFR-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-4-[4-(6-methyl-2-oxopyran-4-yloxy)butoxy]pyran-2-one. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-4-[4-(6-methyl-2-oxopyran-4-yloxy)butoxy]pyran-2-one. Following Lipinski's Rule of Five, 6-Methyl-4-[4-(6-methyl-2-oxopyran-4-yloxy)butoxy]pyran-2-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-Methyl-4-[4-(6-methyl-2-oxopyran-4-yloxy)butoxy]pyran-2-one is 163132-17-0.
The molecular formula of 6-Methyl-4-[4-(6-methyl-2-oxopyran-4-yloxy)butoxy]pyran-2-one is C16H18O6.
The molecular weight of 6-Methyl-4-[4-(6-methyl-2-oxopyran-4-yloxy)butoxy]pyran-2-one is 306.11035 g/mol.
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