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AB-FUBINACA

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Identification
Molecular formula
C21H23FN2O
CAS number
1185282-01-2
IUPAC name
4-(8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)butan-1-one
State
State

AB-FUBINACA is a solid at room temperature. It is usually prepared in powdered form for research or analytical purposes.

Melting point (Celsius)
85.00
Melting point (Kelvin)
358.10
Boiling point (Celsius)
391.60
Boiling point (Kelvin)
664.80
General information
Molecular weight
383.50g/mol
Molar mass
383.4950g/mol
Density
1.2380g/cm3
Appearence

AB-FUBINACA is typically encountered as a pale white powder. It is commonly formulated into synthetic cannabis blends, where its color may vary slightly based on processing and the presence of other substances.

Comment on solubility

Solubility of 4-(8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)butan-1-one

The compound 4-(8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)butan-1-one, with the chemical formula C21H23FN2O, exhibits a unique solubility profile influenced by its molecular structure and functional groups.

Factors Affecting Solubility

Several key factors determine the solubility of this compound:

  • Polarity: The presence of the polar amine group and the carbonyl group in the structure affects the overall polarity of the molecule.
  • Hydrogen Bonding: The ability of the compound to engage in hydrogen bonding enhances its solubility in polar solvents.
  • Molecular Size: With a relatively large molecular size (21 carbon atoms), solubility may be limited in water and other small polar solvents.

Solvent Interactions

The solubility for this compound can be expected to be:

  • High in organic solvents such as ethanol or methanol due to the non-polar hydrocarbon chain and functional groups.
  • Low in aqueous solutions as the hydrophobic characteristics of the structure dominate, reducing its interaction with water molecules.

In conclusion, while the compound may demonstrate reasonable solubility in organic solvents, its solubility in polar environments such as water would likely be limited owing to its larger hydrophobic regions. Further experimental evaluation would provide more precise solubility metrics and potential applications in pharmaceutical formulations.

Interesting facts

Interesting Facts about 4-(8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)butan-1-one

This compound, recognized for its unique structural composition, has garnered attention in various chemical fields. Here are some intriguing aspects that highlight its significance:

  • Biomedical Relevance: The presence of the azaspiro structure in this compound suggests potential applications in pharmacology. Compounds with spirocyclic frameworks are often explored for their biological activity, which could lead to the development of new therapeutic agents.
  • Diverse Functionality: The incorporation of a fluorophenyl group enhances its electronic properties. Fluorinated compounds are known for their stability and lipophilicity, which can improve the bioavailability of pharmaceutical compounds.
  • Synthetic Pathways: The synthesis of such complex molecules often involves innovative methods, showcasing the advancements in organic synthesis techniques such as cross-coupling reactions and multicomponent reactions.
  • Research Focus: Scientists are particularly interested in the interactions between this compound and biological targets, especially due to its potential role in modulating neurological systems.

As we continue to explore compounds like 4-(8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)butan-1-one, we expand our understanding of chemical interactions and pave the way for future discoveries in medicinal chemistry. The study of such compounds not only enhances our knowledge but also sheds light on the intricate relationships between structure and function in medicinal compounds.

Synonyms
64-64-2
BUTYROPHENONE, 4-(8-AZASPIRO(4.5)DEC-8-YL)-4'-FLUORO-
4-(8-Azaspiro(4.5)dec-8-yl)-4'-fluoro-butyrophenone
DTXSID90213980
SCHEMBL17204206
DTXCID20136471