TL;DR: 2-Pyrrolidinone, 1-((3-fluorophenyl)methyl)-5-(octyloxy)-, (+-)- (CAS 136410-41-8) is a chemical compound with molecular formula C19H28FNO2 and molecular weight 321.21042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3-fluorophenyl)methyl]-5-octoxypyrrolidin-2-one
Also Known As: (+-)-1-((3-Fluorophenyl)methyl)-5-(octyloxy)-2-pyrrolidinone, 2-Pyrrolidinone, 1-((3-fluorophenyl)methyl)-5-(octyloxy)-, (+-)-, 5-(Octyloxy)-1-[3-fluorobenzyl]pyrrolidin-2-one, 1-[(3-fluorophenyl)methyl]-5-octoxypyrrolidin-2-one, 1-[(3-FLUOROPHENYL)METHYL]-5-(OCTYLOXY)PYRROLIDIN-2-ONE
| Molecular Formula | C19H28FNO2 |
| Molecular Weight | 321.21042 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 321.21042 Da |
| Heavy Atoms | 23 |
| Complexity | 350.0 |
| SMILES | CCCCCCCCOC1CCC(=O)N1CC2=CC(=CC=C2)F |
| InChIKey | ZADKFGOJMSMICU-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 2-Pyrrolidinone, 1-((3-fluorophenyl)methyl)-5-(octyloxy)-, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Pyrrolidinone, 1-((3-fluorophenyl)methyl)-5-(octyloxy)-, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-((3-fluorophenyl)methyl)-5-(octyloxy)-, (+-)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Pyrrolidinone, 1-((3-fluorophenyl)methyl)-5-(octyloxy)-, (+-)- is 136410-41-8.
The molecular formula of 2-Pyrrolidinone, 1-((3-fluorophenyl)methyl)-5-(octyloxy)-, (+-)- is C19H28FNO2.
The molecular weight of 2-Pyrrolidinone, 1-((3-fluorophenyl)methyl)-5-(octyloxy)-, (+-)- is 321.21042 g/mol.
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