TL;DR: 2-Pyrrolidinone, 1-(1-oxo-2-propylpentyl)-4-phenyl- (CAS 137427-76-0) is a chemical compound with molecular formula C18H25NO2 and molecular weight 287.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one
Also Known As: 2-pyrrolidinone,1-4-phenyl-, 1-(Dipropylacetyl)-4-phenyl-2-pyrrolidinone, 4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one, 2-Pyrrolidinone, 1-(1-oxo-2-propylpentyl)-4-phenyl-, 2-Pyrrolidinone,1- -4-phenyl-
| Molecular Formula | C18H25NO2 |
| Molecular Weight | 287.18854 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.18854 Da |
| Heavy Atoms | 21 |
| Complexity | 354.0 |
| SMILES | CCCC(CCC)C(=O)N1CC(CC1=O)C2=CC=CC=C2 |
| InChIKey | XJCMFNRCIUXOBH-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 2-Pyrrolidinone, 1-(1-oxo-2-propylpentyl)-4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 2-Pyrrolidinone, 1-(1-oxo-2-propylpentyl)-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-(1-oxo-2-propylpentyl)-4-phenyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Pyrrolidinone, 1-(1-oxo-2-propylpentyl)-4-phenyl- is 137427-76-0.
The molecular formula of 2-Pyrrolidinone, 1-(1-oxo-2-propylpentyl)-4-phenyl- is C18H25NO2.
The molecular weight of 2-Pyrrolidinone, 1-(1-oxo-2-propylpentyl)-4-phenyl- is 287.18854 g/mol.
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