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Selexipag

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Identification
Molecular formula
C26H32ClNO2
CAS number
475086-01-2
IUPAC name
2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium;chloride
State
State

At room temperature, Selexipag is in a solid state, specifically as a crystalline powder.

Melting point (Celsius)
122.00
Melting point (Kelvin)
395.00
Boiling point (Celsius)
296.00
Boiling point (Kelvin)
569.00
General information
Molecular weight
354.84g/mol
Molar mass
354.8440g/mol
Density
1.3000g/cm3
Appearence

Selexipag is typically found as a white to off-white crystalline powder. It is odorless and slightly hygroscopic.

Comment on solubility

Solubility of 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium;chloride

The solubility characteristics of the compound 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium;chloride are intriguing due to its unique structure. This compound contains a piperidin-1-ium core cation combined with a dioxolane moiety, influencing its interaction with solvents.

Factors Affecting Solubility

  • Polarity: The presence of both the dioxolane ring and the quaternary nitrogen suggests that the compound is relatively polar, which typically enhances solubility in polar solvents such as water.
  • Hydrogen Bonding: The ability of the piperidinium cation to form hydrogen bonds can lead to increased solubility in protic solvents, allowing for better solvation.
  • Chain Length: The ethyl group may contribute to a moderate hydrophobic character, potentially affecting solubility in non-polar solvents.

In summary, it can be expected that this compound would generally exhibit:

  1. Good solubility in polar solvents
  2. Possibly lower solubility in non-polar organic solvents

Overall, the solubility profile of 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium;chloride presents a fascinating case of how structural features influence solvation, making it an interesting subject for further study.

Interesting facts

Exploring 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium;chloride

2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium;chloride, often referred to as a piperidin-ium derivative, is an intriguing compound that boasts a variety of applications and fascinating properties in the field of chemistry.

Key Features

  • Unique Structure: This compound features a distinctive piperidin-1-ium core, which enhances its interaction with biological systems, making it a strong candidate for pharmacological applications.
  • Cyclized Structure: The 1,3-dioxolane ring introduces interesting characteristics that can affect solubility and reactivity, allowing for diverse synthetic pathways.
  • Ionic Form: Being a chloride salt, it readily dissociates in solution, providing good ion conductivity, which is crucial in electrochemical applications.

This compound exemplifies the concept of structure-activity relationships in medicinal chemistry. Researchers often manipulate such structures to optimize their efficacy and selectivity for target biological pathways. The presence of the dioxolane moiety is particularly noteworthy as it has been linked to increased stability and bioavailability in drug designs.

Applications and Implications

  • Pharmaceuticals: Potentially useful as a lead compound in drug development thanks to its piperidin-1-ium structure.
  • Material Science: May exhibit novel properties valuable for the development of new materials, especially in polymer chemistry.
  • Chemical Research: Serves as a building block for more complex organic synthesis.

In conclusion, 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium;chloride showcases the interplay between structural design and potential functionality. Its ongoing study could yield significant advancements in both medicinal and material chemistry, illustrating the remarkable diversity found within synthetic organic compounds.