TL;DR: 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one (CAS 898465-34-4) is a chemical compound with molecular formula C24H25FN2O3 and molecular weight 408.1849 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one
Also Known As: 2-[(4-benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]-4H-pyran-4-one, 2-[(4-benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one, F2617-1913, 2-((4-benzylpiperazin-1-yl)methyl)-5-((3-fluorobenzyl)oxy)-4H-pyran-4-one
| Molecular Formula | C24H25FN2O3 |
| Molecular Weight | 408.1849 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.1849 Da |
| Heavy Atoms | 30 |
| Complexity | 636.0 |
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)F |
| InChIKey | XCDPPRHVQGDCDI-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-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 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one is 898465-34-4.
The molecular formula of 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one is C24H25FN2O3.
The molecular weight of 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one is 408.1849 g/mol.
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