TL;DR: 2-Pyrrolidinone, 5-(pentyloxy)-1-(3-(trifluoromethyl)benzoyl)-, (+-)- (CAS 136410-13-4) is a chemical compound with molecular formula C17H20F3NO3 and molecular weight 343.13953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-pentoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one
Also Known As: (+-)-5-(Pentyloxy)-1-(3-(trifluoromethyl)benzoyl)-2-pyrrolidinone, 2-Pyrrolidinone, 5-(pentyloxy)-1-(3-(trifluoromethyl)benzoyl)-, (+-)-, 5-(PENTYLOXY)-1-[3-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDIN-2-ONE, 5-pentoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one, BRN 4762590
| Molecular Formula | C17H20F3NO3 |
| Molecular Weight | 343.13953 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.13953 Da |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
| SMILES | CCCCCOC1CCC(=O)N1C(=O)C2=CC(=CC=C2)C(F)(F)F |
| InChIKey | BSMORGFZPHBFNY-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 2-Pyrrolidinone, 5-(pentyloxy)-1-(3-(trifluoromethyl)benzoyl)-, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 2-Pyrrolidinone, 5-(pentyloxy)-1-(3-(trifluoromethyl)benzoyl)-, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 5-(pentyloxy)-1-(3-(trifluoromethyl)benzoyl)-, (+-)- 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-Pyrrolidinone, 5-(pentyloxy)-1-(3-(trifluoromethyl)benzoyl)-, (+-)- is 136410-13-4.
The molecular formula of 2-Pyrrolidinone, 5-(pentyloxy)-1-(3-(trifluoromethyl)benzoyl)-, (+-)- is C17H20F3NO3.
The molecular weight of 2-Pyrrolidinone, 5-(pentyloxy)-1-(3-(trifluoromethyl)benzoyl)-, (+-)- is 343.13953 g/mol.
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