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Neratinib

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Identification
Molecular formula
C30H29ClN6O3
CAS number
698387-09-6
IUPAC name
2-hydroxyethyl-[2-[4-[4-[2-[2-hydroxyethyl(dimethyl)ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium
State
State

At room temperature, Neratinib is a solid.

Melting point (Celsius)
149.70
Melting point (Kelvin)
422.85
Boiling point (Celsius)
442.30
Boiling point (Kelvin)
715.45
General information
Molecular weight
556.06g/mol
Molar mass
556.0570g/mol
Density
1.3692g/cm3
Appearence

Neratinib typically appears as a white to off-white crystalline solid.

Comment on solubility

Solubility of 2-hydroxyethyl-[2-[4-[4-[2-[2-hydroxyethyl(dimethyl)ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium (C30H29ClN6O3)

The solubility of this complex compound can be an intriguing subject due to its unique structure and functional groups. Typically, the solubility of chemical compounds depends on various factors, including:

  • Polarity: The presence of hydroxyl groups (-OH) can enhance solubility in polar solvents, while hydrophobic portions may deter solubility in water.
  • Ionization: The ammonium group may result in partial ionization, potentially increasing solubility in aqueous solutions.
  • Temperature: Generally, an increase in temperature can lead to increased solubility for many compounds.

For this specific compound, "2-hydroxyethyl-[2-[4-[4-[2-[2-hydroxyethyl(dimethyl)ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium", one might expect varying degrees of solubility in both organic and aqueous solvents due to its hybrid nature. While the hydrophilic sites might favor solubility in water, the larger hydrophobic aromatic systems could suggest potential limitations. Therefore, it is often recommended to assess solubility in specific solvents to gauge its practical applications.

In conclusion, the solubility characteristics of such a compound may vary widely and require empirical evaluation to determine optimal conditions for its use.

Interesting facts

Interesting Facts about 2-Hydroxyethyl-[2-[4-[4-[2-[2-hydroxyethyl(dimethyl)ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium

This compound is a fascinating example of a quaternary ammonium compound, belonging to a category of molecules that are often sought after for their unique properties and applications in various fields of chemistry and biochemistry.

Potential Applications

  • Surface Active Agent: Due to its ammonium structure, it can act as a surfactant, making it valuable in formulations that require emulsification.
  • Pharmaceuticals: Compounds similar to this one are often studied for drug delivery systems, taking advantage of their ability to enhance solubility and stability of active ingredients.
  • Biological Activity: The presence of hydroxyethyl groups may contribute to increased hydrophilicity, improving interactions in biological systems.

Chemical Structure Highlights

The intricate structure of this compound showcases:

  • Ammonio Groups: These groups are typically associated with positive charge, which can influence the compound's reactivity and interactions with other molecules.
  • Aromatic Rings: The multiple aromatic moieties in the structure provide potential for π-π stacking interactions, which can be important in biological signaling pathways.
  • Functionalization: The various functional groups allow for potential derivatization, making this compound a versatile candidate for synthesis of new analogs.

Research Significance

As scientists continue to explore the diversity of quaternary ammonium compounds, studies on 2-hydroxyethyl-[2-[4-[4-[2-[2-hydroxyethyl(dimethyl)ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium may unveil new insights into:

  • Medicinal Chemistry: Understanding how structural variations alter biological activity.
  • Material Science: Its use in developing new materials that possess specific thermal or electrical properties.

In summary, the compound 2-hydroxyethyl-[2-[4-[4-[2-[2-hydroxyethyl(dimethyl)ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium is a chemical entity that not only piques the interest of chemists due to its structure but also holds promise for various applications that could benefit society. As research expands, the true potential of this compound is yet to be fully realized!