TL;DR: 1-Oxa-3,9-diazaspiro(5.5)undecan-2-one, 9-(3-(p-fluorobenzoyl)propyl)- (CAS 54981-15-6) is a chemical compound with molecular formula C18H23FN2O3 and molecular weight 334.16928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Also Known As: 1-Oxa-3,9-diazaspiro(5.5)undecan-2-one, 9-(3-(p-fluorobenzoyl)propyl)-, Oxo-2 ((fluoro-4 benzoyl)-3 propyl)-9 oxadiaza-1,3,9 spiro(5,5)undecane [French], Oxo-2 ((fluoro-4 benzoyl)-3 propyl)-9 oxadiaza-1,3,9 spiro(5,5)undecane, 9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one, 9-[3-(p-Fluorobenzoyl)propyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
| Molecular Formula | C18H23FN2O3 |
| Molecular Weight | 334.16928 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.16928 Da |
| Heavy Atoms | 24 |
| Complexity | 455.0 |
| SMILES | C1CNC(=O)OC12CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | BMTLAPIIHHSIFJ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxa-3,9-diazaspiro(5.5)undecan-2-one, 9-(3-(p-fluorobenzoyl)propyl)-. With a topological polar surface area (TPSA) of 58.6 Ų, 1-Oxa-3,9-diazaspiro(5.5)undecan-2-one, 9-(3-(p-fluorobenzoyl)propyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxa-3,9-diazaspiro(5.5)undecan-2-one, 9-(3-(p-fluorobenzoyl)propyl)- has 1 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 1-Oxa-3,9-diazaspiro(5.5)undecan-2-one, 9-(3-(p-fluorobenzoyl)propyl)- is 54981-15-6.
The molecular formula of 1-Oxa-3,9-diazaspiro(5.5)undecan-2-one, 9-(3-(p-fluorobenzoyl)propyl)- is C18H23FN2O3.
The molecular weight of 1-Oxa-3,9-diazaspiro(5.5)undecan-2-one, 9-(3-(p-fluorobenzoyl)propyl)- is 334.16928 g/mol.
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