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Calcipotriol

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Identification
Molecular formula
C27H40O3
CAS number
112965-21-6
IUPAC name
5-[2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
State
State

In its pure form, Calcipotriol is a solid at room temperature. It is typically used in dermatological preparations and is stable under normal conditions.

Melting point (Celsius)
166.00
Melting point (Kelvin)
439.15
Boiling point (Celsius)
180.00
Boiling point (Kelvin)
453.15
General information
Molecular weight
412.59g/mol
Molar mass
412.5910g/mol
Density
1.0900g/cm3
Appearence

Calcipotriol, also known as calcipotriene, typically appears as a white or off-white crystalline powder. It is often presented in topical cream or ointment formulations for medical use.

Comment on solubility

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

The solubility of a compound can significantly impact its behavior and applications. For the compound with the formula C27H40O3, several factors influence its solubility characteristics:

  • Molecular Structure: Its complex structure, featuring multiple hydrocarbon chains and hydroxyl groups, plays a crucial role. Generally, compounds with larger hydrocarbon components often have lower solubility in polar solvents due to their hydrophobic nature.
  • Hydroxyl Groups: The presence of hydroxyl (-OH) groups typically enhances solubility in polar solvents, such as water, because these groups can form hydrogen bonds with solvent molecules.
  • Polarity: The overall polarity of the molecule is a deciding factor for solubility. This compound's diverse functional groups can lead to varying solubility depending on the solvent.

In summary, the solubility of this particular compound is likely to be limited in nonpolar solvents, while it may exhibit moderate solubility in polar solvents due to the hydroxyl groups. As with many complex organic compounds, predicting exact solubility without experimental data can be challenging; thus, empirical testing is essential to ascertain the precise solubility properties.

Interesting facts

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

This fascinating chemical compound is a member of the broader family of organic compounds often explored in medicinal chemistry and pharmacology. Here are some intriguing insights into its characteristics and potential applications:

  • Complex Structure: The compound features multiple functional groups, including hydroxyl (-OH) and alkene groups, which contribute to its unique chemical reactivity and potential interactions with biological systems.
  • Potential Therapeutic Uses: Due to its structural similarities with known bioactive compounds, this compound may possess bioactive activities, making it a candidate for further research in therapeutic applications.
  • Cyclohexane Core: The presence of a cyclohexane ring adds rigidity to its structure, which can affect its physical properties and biological interactions, often enhancing its efficacy in specific applications.
  • Synthesis Challenges: The synthesis of such complex molecules can present significant challenges, often requiring advanced techniques in organic chemistry, which can help students grasp the beauty and difficulty of real-world chemistry.
  • Study of Derivatives: Exploring derivatives and analogs of this compound can provide insight into structure-activity relationships, highlighting how minor changes can lead to substantial differences in activity or properties.

As you delve deeper into the world of organic compounds, this particular compound offers a glimpse into the intricate intersection of chemistry and biology, showing just how rich the field of chemical sciences can be. Studying it could inspire future innovations in drug development and synthesis techniques.

Synonyms
32222-06-3
73837-24-8
Calcitriol D6
1,25-Dihydroxyvitamin D3
5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
78782-99-7
Q27216044
5-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
5-{2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol