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Calcipotriene

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Identification
Molecular formula
C27H40F3O3
CAS number
112965-21-6
IUPAC name
5-[2-[7a-methyl-1-[6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hexyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
State
State

Calcipotriene is solid at room temperature, existing as a crystalline powder.

Melting point (Celsius)
112.00
Melting point (Kelvin)
385.15
Boiling point (Celsius)
254.00
Boiling point (Kelvin)
527.15
General information
Molecular weight
412.61g/mol
Molar mass
412.3720g/mol
Density
1.1500g/cm3
Appearence

Calcipotriene appears as a white to off-white crystalline powder. It is known for its relatively fine, granular crystals when purified.

Comment on solubility

Solubility of 5-[2-[7a-methyl-1-[6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hexyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol (C27H40F3O3)

The solubility of the compound C27H40F3O3, containing a complex molecular structure, can be influenced by several factors:

  • Polarity: Due to the presence of multiple hydroxy (-OH) groups, this compound is likely to exhibit polar characteristics, which may lead to enhanced solubility in polar solvents, such as water or alcohols.
  • Hydrophobic Regions: The extensive hydrocarbon portion and trifluoromethyl groups contribute to significant hydrophobic behavior, potentially decreasing solubility in aqueous environments.
  • Solvent Interaction: Solubility can vary significantly based on the nature of the solvent. Solvents with both polar and nonpolar characteristics might be considered to achieve a balance for dissolving this compound.
  • Temperature: Increasing temperature generally aids in solubility for many compounds, and it could help in this case, enhancing the interaction between the compound and solvent molecules.

In summary, while the presence of polar functional groups suggests potential solubility in polar solvents, the considerable hydrophobic characteristics could present challenges for solubility in polar media. Understanding the balance between these features is crucial for predicting solubility behavior.


Interesting facts

Interesting Facts about 5-[2-[7a-methyl-1-[6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hexyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol

This fascinating compound, often identified by its rather complex name, represents an intriguing intersection of both synthesis and application in the realm of organic chemistry. Below are some noteworthy points that shed light on its significance:

  • Structural Diversity: The compound showcases an intricate structure that includes multiple functional groups. The presence of trifluoromethyl groups highlights the compound's potential for unique interactions with other molecules, particularly in pharmaceuticals.
  • Potential Applications: Due to its highly substituted framework, this compound may serve as a precursor for various biologically active molecules. It is particularly significant in medicinal chemistry where fluorinated compounds often exhibit enhanced biological activity.
  • Synthetic Challenges: The synthesis of such complex molecules requires advanced techniques in organic synthesis, making it a topic of interest for chemists looking to develop new methodologies. This compound may engage synthetic chemists with its multi-step synthesis protocols.
  • Fluorine and Biological Impact: The presence of fluorine atoms in the compound contributes to the stability and lipophilicity of the molecule, potentially improving its pharmacokinetic properties. This characteristic makes it valuable in the design of drug candidates.
  • Research Opportunities: The compound can serve as a lead structure for researchers exploring new therapeutic agents. Its complex nature can inspire studies on structure-activity relationships in drug design.

In summary, this compound not only stands out for its structural complexity but also offers numerous avenues for research and application in the field of chemistry. As scientists continue to explore such compounds, they expand our understanding of chemical interactions and the potential for new discoveries in drug development.