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A complex synthetic compound

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Identification
Molecular formula
C36H48ClN7O5
CAS number
/
IUPAC name
1-[4-benzyl-2-hydroxy-5-[(2-hydroxy-5-methyl-cyclopentyl)amino]-5-oxo-pentyl]-N-tert-butyl-4-[6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonyl]piperazine-2-carboxamide
State
State

At room temperature, this compound remains in a solid state with crystalline structure. It is usually stable under standard conditions of temperature and pressure.

Melting point (Celsius)
200.00
Melting point (Kelvin)
473.15
Boiling point (Celsius)
400.00
Boiling point (Kelvin)
673.15
General information
Molecular weight
720.91g/mol
Molar mass
720.9110g/mol
Density
1.3000g/cm3
Appearence

This complex compound typically appears as a crystalline solid. The crystals can vary in color, often being off-white or cream, depending on the purity of the sample.

Comment on solubility

Solubility of 1-[4-benzyl-2-hydroxy-5-[(2-hydroxy-5-methyl-cyclopentyl)amino]-5-oxo-pentyl]-N-tert-butyl-4-[6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonyl]piperazine-2-carboxamide (C36H48ClN7O5)

The solubility of this complex compound can be analyzed based on its various functional groups and structural characteristics. Here are some key points to consider:

  • Polar vs. Nonpolar: The presence of multiple functional groups, including hydroxyl (–OH) and amide (–C(=O)N–), suggests that the compound is likely more polar, which can enhance its solubility in polar solvents such as water.
  • Hydrogen Bonding: The hydroxyl and amide groups can form hydrogen bonds with solvents, further contributing to the solubility profile. This implies that the compound may dissolve well in aqueous solutions under certain conditions.
  • Hydrophobic Interactions: Conversely, the presence of larger aromatic systems and tert-butyl groups introduces hydrophobic regions, which may hinder solubility in water and favor solubility in nonpolar solvents like organic solvents (e.g., ethanol or DMSO).
  • pH Dependence: The solubility might also be influenced by the pH of the solution, as the ionization of amine or carboxamide groups can change with pH, affecting the overall solubility characteristics.
  • Temperature Effect: Increasing temperature often increases solubility for many compounds, and understanding the thermal behavior may provide insights on optimal conditions for dissolution.

In summary, while this compound has structural features that promote solubility in *both* polar and nonpolar solvents, the balance between its hydrophilic and hydrophobic characteristics plays a crucial role. Therefore, careful consideration of the solvent system and conditions is essential to optimize solubility for desired applications.

Interesting facts

Interesting Facts about 1-[4-benzyl-2-hydroxy-5-[(2-hydroxy-5-methyl-cyclopentyl)amino]-5-oxo-pentyl]-N-tert-butyl-4-[6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonyl]piperazine-2-carboxamide

This compound is a fascinating example of a complex organic molecule that showcases the rich interplay of functional groups, which play a significant role in its properties and potential applications. Here are some intriguing aspects of this compound:

  • Diverse Functional Groups: The molecule contains various functional groups, including amines, hydroxyls, and carbonyls. This diversity can lead to unique reactivity and biological activity, making it a subject of interest in medicinal chemistry.
  • Potential Pharmaceutical Applications: Given its structural complexity, this compound may possess valuable pharmacological properties. Molecules of this nature are often explored for their efficacy in treating diseases, particularly in fields like oncology or neurology.
  • Chirality and Stereoisomerism: The presence of multiple chiral centers suggests that this compound could exhibit stereoisomerism, leading to different biological activities amongst its isomers. This aspect is crucial in drug design, as chirality can significantly impact a drug's effectiveness and safety.
  • Interactions in Biological Systems: The intricate structure allows for potential interactions with various biological targets, such as enzymes and receptors. Understanding these interactions can provide insights into the compound's mechanism of action.

As scientists continue to investigate such compounds, the potential for discoveries that could lead to novel therapies remains high. In the words of famous chemist Linus Pauling, "The best way to have a good idea is to have a lot of ideas." This compound is a testament to the creativity and complexity of molecular design in chemistry.

In summary, the structural intricacies of this compound not only highlight the sophistication of chemical synthesis but also underscore the importance of exploring such molecules for their therapeutic potential.

Synonyms
PD042297