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Ibrutinib

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Identification
Molecular formula
C25H24N6O2
CAS number
936563-96-1
IUPAC name
tert-butyl N-[3-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cycloprop-2-en-1-yl-methyl]anilino]-3-oxo-propyl]carbamate
State
State

Solid at room temperature.

Melting point (Celsius)
154.00
Melting point (Kelvin)
427.15
Boiling point (Celsius)
687.50
Boiling point (Kelvin)
960.65
General information
Molecular weight
440.50g/mol
Molar mass
440.5020g/mol
Density
1.2000g/cm3
Appearence

Ibrutinib is typically a white to off-white crystalline powder.

Comment on solubility

Solubility of tert-butyl N-[3-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cycloprop-2-en-1-yl-methyl]anilino]-3-oxo-propyl]carbamate

The solubility of the compound C25H24N6O2, also known as tert-butyl N-[3-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cycloprop-2-en-1-yl-methyl]anilino]-3-oxo-propyl]carbamate, can be influenced by various factors due to its complex structure. Understanding its solubility properties can help in the development of formulations and applications of this compound in various fields.

Factors Affecting Solubility

  • Polarity: The presence of polar functional groups, such as the carbamate and hydroxyl groups, may enhance solubility in polar solvents.
  • Molecular Weight: With a relatively high molecular weight, solubility might be limited compared to smaller molecules.
  • Hydrogen Bonding: The ability to form hydrogen bonds can increase solubility in water and other protic solvents.

Solvent Compatibility

The solubility of this compound may vary significantly in different solvents. Generally, one might expect:

  • High solubility in organic solvents that can disrupt intermolecular interactions.
  • Moderate solubility in polar solvents like ethanol or methanol due to the presence of hydroxyl groups.
  • Low solubility in non-polar solvents, which could limit its application in certain formulations.

As a rule of thumb, *“like dissolves like”* – meaning that similar chemical properties can lead to better solubility. Understanding these principles is crucial for maximizing the utility of this compound in research and applied science.

Interesting facts

Interesting Facts about Tert-Butyl N-[3-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cycloprop-2-en-1-yl-methyl]anilino]-3-oxo-propyl]carbamate

Tert-butyl N-[3-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cycloprop-2-en-1-yl-methyl]anilino]-3-oxo-propyl]carbamate is a fascinating compound with significant implications in various fields of chemistry and pharmacology. Here are some interesting insights:

  • Dual Functionality: This compound showcases both carbamate and pyran structures, making it an intriguing subject for research on its biological activities.
  • Potential Therapeutics: Its unique molecular framework suggests that it might possess potential therapeutic properties, particularly in the realm of cancer research and drug design.
  • Structure-Activity Relationship (SAR): The intricate design of this compound allows for in-depth SAR studies, exploring how modifications to its structure can influence biological efficacy.
  • Versatile Synthesis: The synthesis of tert-butyl N-[3-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cycloprop-2-en-1-yl-methyl]anilino]-3-oxo-propyl]carbamate exemplifies modern synthetic organic chemistry techniques, highlighting the innovative approaches chemists employ today.
  • Applications Beyond Medicine: While it is primarily studied for its potential medicinal uses, its chemical properties may find applications in agrochemicals and material science.

In summary, this compound is not just an intricate assembly of atoms but also a potential player in the fight against diseases and a testament to the creativity in synthetic chemistry. As Marie Curie famously stated, "Nothing in life is to be feared, it is only to be understood." With compounds like this one, we are continually expanding our understanding of the molecular world.