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Calcitriol

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Identification
Molecular formula
C27H44O3
CAS number
32222-06-3
IUPAC name
5-[2-[1-(4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-methyl-6-methylene-cyclohexane-1,3-diol
State
State

At room temperature, calcitriol is typically found in a solid-state as a crystalline powder, and it should be protected from light and stored in a light-resistant container.

Melting point (Celsius)
118.00
Melting point (Kelvin)
391.00
Boiling point (Celsius)
552.20
Boiling point (Kelvin)
825.40
General information
Molecular weight
416.64g/mol
Molar mass
416.6360g/mol
Density
0.9453g/cm3
Appearence

Calcitriol appears as colorless crystals or a white crystalline powder. It is sensitive to air, heat, and light, which can lead to decomposition.

Comment on solubility

Solubility of 5-[2-[1-(4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-methyl-6-methylene-cyclohexane-1,3-diol (C27H44O3)

The solubility of 5-[2-[1-(4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-methyl-6-methylene-cyclohexane-1,3-diol is crucial for understanding its behavior in various environments. This compound, with its complex structure, presents unique challenges regarding solubility due to a combination of hydrophobic and hydrophilic characteristics. Here are some key points regarding its solubility:

  • Polarity: The presence of hydroxyl (-OH) groups indicates potential for hydrophilicity, yet the overall hydrophobic cyclic structures may impede full solubility in polar solvents.
  • Solvent Interactions: It may display differential solubility in organic solvents compared to water:
    • High solubility in non-polar organic solvents like toluene or chloroform.
    • Low solubility in water due to the predominant hydrophobic characteristics.
  • Temperature Effects: As with many organic compounds, solubility can be influenced by temperature—typically, increasing temperature increases solubility in organic solvents.
  • Application in Formulations: Understanding solubility is vital for its potential applications in pharmaceuticals where solvent compatibility is essential for bioavailability.

In conclusion, while the solubility of this compound may be limited in aqueous solutions, its behavior in organic solvents expands its utility. These factors play a significant role in determining how and where this compound may be effectively used.

Interesting facts

Exploring the Compound: 5-[2-[1-(4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-methyl-6-methylene-cyclohexane-1,3-diol

This fascinating compound encapsulates a remarkable blend of structural complexity and potential biological activity, making it a significant subject of study in organic chemistry and pharmacology.

Key Highlights:

  • Structural Complexity: The intricate arrangement of cyclic structures and substituents demonstrates the rich diversity of organic compounds. The presence of cyclopropyl and hydroxyl groups suggests intriguing reactivity and interaction potential.
  • Potential Biological Applications: Compounds of this nature may exhibit significant pharmacological properties, particularly in the fields of medicinal chemistry and drug design. The structural motifs present could be explored for therapeutic roles, such as anti-inflammatory or anticancer agents.
  • Synthesis Challenges: Synthesizing such complex molecules often requires advanced techniques and methodologies, such as multi-step synthesis, protecting group strategies, and possibly the use of catalysts.

This compound's structure can evoke curiosity about its mechanism of action, ·as it involves multiple functionalities that might interact with biological targets in unique ways. As with many complex organic molecules, understanding the analogs and derivatives can pave the way for the discovery of new drugs and materials.

In summary, this compound stands as a testament to the ingenuity of organic synthesis and the vast possibilities that arise from modulating molecular structures. As research continues, uncovering the specific interactions and applications of compounds like this fuels the advancement of chemistry and the pharmaceutical sciences.