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MDMB-4en-PINACA

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Identification
Molecular formula
C21H28F5N3O3
CAS number
1863065-84-2
IUPAC name
1-[2-(methylamino)-3-phenyl-propanoyl]-N-[3,3,4,4,4-pentafluoro-1-(1H-indol-3-ylmethyl)-2-oxo-butyl]pyrrolidine-2-carboxamide
State
State

At room temperature, MDMB-4en-PINACA is typically a solid, crystalline powder. However, due to its susceptibility to degradation, it is stored and handled with care, often in sealed containers to prevent exposure to air and moisture.

Melting point (Celsius)
85.00
Melting point (Kelvin)
358.15
Boiling point (Celsius)
460.15
Boiling point (Kelvin)
733.30
General information
Molecular weight
412.36g/mol
Molar mass
412.3560g/mol
Density
1.3000g/cm3
Appearence

MDMB-4en-PINACA typically appears as a powdery substance, which can range in color from white to off-white, or light yellow. Given its use as a synthetic cannabinoid, it is often found in formulations intended for vaping or as a powder to be mixed with a plant material for herbal incense.

Comment on solubility

Solubility of 1-[2-(methylamino)-3-phenyl-propanoyl]-N-[3,3,4,4,4-pentafluoro-1-(1H-indol-3-ylmethyl)-2-oxo-butyl]pyrrolidine-2-carboxamide

The solubility of the compound with the formula C21H28F5N3O3 can vary significantly depending on several factors such as temperature, pH, and the presence of other solutes. Given the complexity of its structure, which includes multiple functional groups, it is crucial to consider the following:

  • Hydrophobic and Hydrophilic Interactions: The presence of both fluorinated groups and amino groups in the structure suggests varying degrees of hydrophobic and hydrophilic characteristics. The fluorinated segment often leads to decreased solubility in aqueous environments.
  • Polarity: The compound's overall polarity is a critical factor. Compounds with higher polarity tend to have better solubility in polar solvents such as water. However, due to its large hydrophobic portions, the solubility might be limited.
  • Solvent Compatibility: This compound is more likely to exhibit solubility in organic solvents like DMSO (dimethyl sulfoxide) or DMF (dimethylformamide) rather than in water.
  • Temperature Effects: Increasing temperature generally enhances solubility but can lead to unpredictable behavior in complexes, where phase transitions may occur.

As a consequence, it is often advisable to conduct solubility tests in various solvents to determine the most suitable conditions for applications in pharmaceutical and industrial settings. Understanding these aspects will ensure proper formulation and usage of this complex compound.

Interesting facts

Interesting Facts about 1-[2-(methylamino)-3-phenyl-propanoyl]-N-[3,3,4,4,4-pentafluoro-1-(1H-indol-3-ylmethyl)-2-oxo-butyl]pyrrolidine-2-carboxamide

This complex compound is a notable example of a novel pharmaceutical molecule that showcases the intricate design found in medicinal chemistry. Here are some intriguing aspects of this compound:

  • Multi-functional Structure: The compound contains various functional groups, including a carboxamide, a methylamino group, and fluorinated alkyl chains. This diversity can affect its biological activity and solubility.
  • Fluorine Substitution: The presence of five fluorine atoms, as in the pentafluoro group, can enhance the lipophilicity and metabolic stability of the compound. This often results in increased potency and selectivity in biological applications.
  • Indole Moiety: The incorporation of an indole structure is significant, as indole derivatives are known for their wide range of pharmacological activities, including anti-inflammatory, analgesic, and anticancer effects.
  • Potential Therapeutic Applications: Compounds of this complexity often undergo investigation as potential therapeutics for various diseases. Specifically, this compound may have implications in cancer therapy or neurological disorders due to its structural properties.
  • Challenges in Synthesis: The synthesis of such a complex molecule involves sophisticated organic chemistry techniques, which may present challenges in terms of yield and efficiency. Understanding these challenges is essential for drug development.

Overall, the study of this compound not only contributes to the field of chemistry but also opens doors to potential advancements in medical science.

Synonyms
PD195049