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Estramustine

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Identification
Molecular formula
C23H31Cl2NO3
CAS number
2998-57-4
IUPAC name
[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
State
State

At room temperature, estramustine is typically found in a solid state as a crystalline powder. It is commonly used in oral dosage forms for medical applications.

Melting point (Celsius)
144.40
Melting point (Kelvin)
417.55
Boiling point (Celsius)
705.90
Boiling point (Kelvin)
979.05
General information
Molecular weight
598.49g/mol
Molar mass
598.4900g/mol
Density
1.3030g/cm3
Appearence

Estramustine appears as an off-white to light yellow, crystalline powder. It can be sensitive to light, leading to darkening upon prolonged exposure. This appearance may vary based on specific formulation and batch characteristics in pharmaceutical preparations.

Comment on solubility

Solubility of [17-(1,5-Dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate

The solubility of this complex compound is inherently influenced by its intricate structure and functional groups. Understanding solubility involves several factors, which can be categorized as follows:

  • Polarity: The presence of polar functional groups can enhance solubility in polar solvents, while non-polar sections may favor solubility in non-polar solvents.
  • Hydrogen Bonding: Capable of forming hydrogen bonds typically increases solubility in water.
  • Molecular Weight: High molecular weight can decrease solubility due to increased hydrophobic interactions.

For this specific compound, its lengthy aliphatic chains and aromatic systems suggest the following unique solubility traits:

  1. Moderate to Low Aqueous Solubility: The compound may exhibit limited solubility in water owing to substantial hydrophobic character.
  2. Higher Solubility in Organic Solvents: It is likely more soluble in organic solvents such as ethanol or dichloromethane.

These characteristics highlight a crucial principle: “The solubility of a compound is often a balance of its polar and non-polar components.” The specific solubility can be experimentally determined, but expect nuances based on factors like temperature and pH.

In conclusion, the solubilization behavior of this compound emphasizes the complex interplay of molecular structure and solvent characteristics, which ultimately dictates its usability in various chemical applications.

Interesting facts

Interesting Facts about the Compound

This fascinating compound is an excellent example of the complexity found within organic chemistry, exhibiting a rich structure that piques both scientific and educational interest. Below are some captivating details regarding this particular compound:

  • Structural Diversity: The compound showcases a unique blend of a steroid framework and an amino acid derivative, leading to a diverse array of potential interactions with biological systems.
  • Potential Biological Activity: Compounds similar to this one are often investigated for their potential therapeutic applications, particularly in treating various diseases, including cancer.
  • Synthetic Challenges: The synthesis of such complex molecules can be challenging, often requiring multiple steps and sophisticated techniques, which makes them intriguing subjects of study for chemistry students.
  • Relevance in Medicinal Chemistry: The presence of amino groups suggests potential reactivity with biological targets, making it a candidate for drug discovery and development.

As researchers work to unlock the secrets of this compound, it serves as a reminder of the creativity and precision required in chemistry. As one prominent scientist once stated, "Chemistry is the art of transformation; it turns the ordinary into the extraordinary." This compound epitomizes that very principle.

Overall, studying this compound not only expands our understanding of organic synthesis but also contributes to the ongoing quest for innovative therapeutic agents.

Synonyms
Fenesterin.
SCHEMBL9278
CHEMBL267696
DTXSID40859817
cholest-5-en-3-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate