TL;DR: 8-(4,4-Bis(4-fluorophenyl)butyl)-4-methylene-3-propyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one (CAS 134069-52-6) is a chemical compound with molecular formula C27H32F2N2O2 and molecular weight 454.2432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Also Known As: 8-(4,4-Bis(4-fluorophenyl)butyl)-4-methylene-3-propyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one, 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-4-methylene-3-propyl-, 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one, 8-[4,4-bis(4-fluorophenyl)butyl]-1-methylidene-2-propyl-4-oxa-2,8-diazaspiro[4.5]decan-3-one, 8-[4,4-Bis(4-fluorophenyl)butyl]-4-methylene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
| Molecular Formula | C27H32F2N2O2 |
| Molecular Weight | 454.2432 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.2432 Da |
| Heavy Atoms | 33 |
| Complexity | 641.0 |
| SMILES | CCCN1C(=C)C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC1=O |
| InChIKey | LQBGJLVMYJGVSS-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 8-(4,4-Bis(4-fluorophenyl)butyl)-4-methylene-3-propyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 8-(4,4-Bis(4-fluorophenyl)butyl)-4-methylene-3-propyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(4,4-Bis(4-fluorophenyl)butyl)-4-methylene-3-propyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-(4,4-Bis(4-fluorophenyl)butyl)-4-methylene-3-propyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one is 134069-52-6.
The molecular formula of 8-(4,4-Bis(4-fluorophenyl)butyl)-4-methylene-3-propyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one is C27H32F2N2O2.
The molecular weight of 8-(4,4-Bis(4-fluorophenyl)butyl)-4-methylene-3-propyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one is 454.2432 g/mol.
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