TL;DR: Butyrophenone, 4'-fluoro-4-(spiro(benzofuran-3(2H),4'-piperidin)-1'-yl)- (CAS 73962-17-1) is a chemical compound with molecular formula C22H24FNO2 and molecular weight 353.1791 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutan-1-one
Also Known As: BUTYROPHENONE, 4'-FLUORO-4-(SPIRO(BENZOFURAN-3(2H),4'-PIPERIDIN)-1'-YL)-, 4'-Fluoro-4-(spiro(benzofuran-3(2H),4'-piperidin)-1'-yl)butyrophenone, 1-(4-Fluorophenyl)-4-(2H-spiro[[1]benzofuran-3,4'-piperidin]-1'-yl)butan-1-one, 1-(4-fluorophenyl)-4-{2H-spiro[1-benzofuran-3,4'-piperidin]-1'-yl}butan-1-one, 1-(4-fluorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutan-1-one
| Molecular Formula | C22H24FNO2 |
| Molecular Weight | 353.1791 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.1791 Da |
| Heavy Atoms | 26 |
| Complexity | 481.0 |
| SMILES | C1CN(CCC12COC3=CC=CC=C23)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | NLLWFQSRJVHDMI-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Butyrophenone, 4'-fluoro-4-(spiro(benzofuran-3(2H),4'-piperidin)-1'-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Butyrophenone, 4'-fluoro-4-(spiro(benzofuran-3(2H),4'-piperidin)-1'-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4'-fluoro-4-(spiro(benzofuran-3(2H),4'-piperidin)-1'-yl)- has 0 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 Butyrophenone, 4'-fluoro-4-(spiro(benzofuran-3(2H),4'-piperidin)-1'-yl)- is 73962-17-1.
The molecular formula of Butyrophenone, 4'-fluoro-4-(spiro(benzofuran-3(2H),4'-piperidin)-1'-yl)- is C22H24FNO2.
The molecular weight of Butyrophenone, 4'-fluoro-4-(spiro(benzofuran-3(2H),4'-piperidin)-1'-yl)- is 353.1791 g/mol.
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