TL;DR: Heptanophenone, 4'-fluoro-7-(4-(o-methoxyphenyl)-1-piperazinyl)- (CAS 17160-74-6) is a chemical compound with molecular formula C24H31FN2O2 and molecular weight 398.23697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
Also Known As: HEPTANOPHENONE, 4'-FLUORO-7-(4-(o-METHOXYPHENYL)-1-PIPERAZINYL)-, 4'-Fluoro-7-(4-(o-methoxyphenyl)-1-piperazinyl)heptanophenone, 1-(4-fluorophenyl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one, BRN 0715641
| Molecular Formula | C24H31FN2O2 |
| Molecular Weight | 398.23697 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.23697 Da |
| Heavy Atoms | 29 |
| Complexity | 474.0 |
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CCCCCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | LYDVNNFYKGNCDH-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Heptanophenone, 4'-fluoro-7-(4-(o-methoxyphenyl)-1-piperazinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, Heptanophenone, 4'-fluoro-7-(4-(o-methoxyphenyl)-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanophenone, 4'-fluoro-7-(4-(o-methoxyphenyl)-1-piperazinyl)- 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 Heptanophenone, 4'-fluoro-7-(4-(o-methoxyphenyl)-1-piperazinyl)- is 17160-74-6.
The molecular formula of Heptanophenone, 4'-fluoro-7-(4-(o-methoxyphenyl)-1-piperazinyl)- is C24H31FN2O2.
The molecular weight of Heptanophenone, 4'-fluoro-7-(4-(o-methoxyphenyl)-1-piperazinyl)- is 398.23697 g/mol.
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