TL;DR: 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-butyl-4-hydroxy-4-methyl-, monohydrochloride (CAS 134069-99-1) is a chemical compound with molecular formula C28H37ClF2N2O3 and molecular weight 522.2461 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[4,4-bis(4-fluorophenyl)butyl]-3-butyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
Also Known As: 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-butyl-4-hydroxy-4-methyl-, monohydrochloride, 1-Oxa-3,8-diazaspiro(4.5)decan-2-one,8-(4,4-bis(4-fluorophenyl)butyl)-3-butyl-4-hydroxy-4-methyl-,monohydrochloride, 8-[4,4-bis(4-fluorophenyl)butyl]-2-butyl-1-hydroxy-1-methyl-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride, 8-[4,4-bis(4-fluorophenyl)butyl]-3-butyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one,hydrochloride, 8-[4,4-Bis(4-fluorophenyl)butyl]-3-butyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one--hydrogen chloride (1/1)
| Molecular Formula | C28H37ClF2N2O3 |
| Molecular Weight | 522.2461 g/mol |
| XLogP | 6.0941 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.2461 Da |
| Heavy Atoms | 36 |
| Complexity | 664.0 |
| SMILES | CCCCN1C(=O)OC2(C1(C)O)CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl |
| InChIKey | UGGIBROMPUIOKO-UHFFFAOYSA-N |
The XLogP value of 6.0941 indicates that 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-butyl-4-hydroxy-4-methyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-butyl-4-hydroxy-4-methyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-butyl-4-hydroxy-4-methyl-, monohydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-butyl-4-hydroxy-4-methyl-, monohydrochloride is 134069-99-1.
The molecular formula of 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-butyl-4-hydroxy-4-methyl-, monohydrochloride is C28H37ClF2N2O3.
The molecular weight of 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-butyl-4-hydroxy-4-methyl-, monohydrochloride is 522.2461 g/mol.
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