TL;DR: 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-1h-benz[de]isoquinoline-1,3(2h)-dione (CAS 153747-22-9) is a chemical compound with molecular formula C26H23FN2O3 and molecular weight 430.16928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-1h-benz[de]isoquinoline-1,3(2h)-dione, F0843-0011, 2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione, 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-
| Molecular Formula | C26H23FN2O3 |
| Molecular Weight | 430.16928 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.16928 Da |
| Heavy Atoms | 32 |
| Complexity | 697.0 |
| SMILES | C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(=O)C5=CC=C(C=C5)F |
| InChIKey | DFWAFEFBLLXZHX-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-1h-benz[de]isoquinoline-1,3(2h)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-1h-benz[de]isoquinoline-1,3(2h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-1h-benz[de]isoquinoline-1,3(2h)-dione has 0 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-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-1h-benz[de]isoquinoline-1,3(2h)-dione is 153747-22-9.
The molecular formula of 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-1h-benz[de]isoquinoline-1,3(2h)-dione is C26H23FN2O3.
The molecular weight of 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-1h-benz[de]isoquinoline-1,3(2h)-dione is 430.16928 g/mol.
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