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Cloperastine

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Identification
Molecular formula
C21H26ClNO2S
CAS number
3703-76-2
IUPAC name
1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
State
State

At room temperature, Cloperastine is in a solid state, typically as a crystalline powder. Due to its solid form, it is often used in pharmaceutical formulations.

Melting point (Celsius)
136.00
Melting point (Kelvin)
409.15
Boiling point (Celsius)
470.00
Boiling point (Kelvin)
743.15
General information
Molecular weight
358.87g/mol
Molar mass
358.8730g/mol
Density
1.2000g/cm3
Appearence

Cloperastine is typically found as a white to off-white crystalline powder. Its appearance is characterized by its fine, particulate form, allowing for easy dissolution or formulation into different delivery methods.

Comment on solubility

Solubility Characteristics

The compound 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline exhibits intriguing solubility traits that are influenced by its complex structure. Understanding its solubility is essential for predicting its behavior in various environments.

Factors Influencing Solubility

Several key factors affect the solubility of this compound:

  • Molecular Structure: The presence of the 4-chlorophenyl and dimethoxy groups may enhance lipophilicity, affecting how well it dissolves in organic solvents.
  • Polarity: The balance between polar and nonpolar characteristics dictates whether it will be more soluble in polar solvents (like water) or nonpolar solvents (like hexane).
  • Intermolecular Interactions: Hydrogen bonding and van der Waals forces play a significant role in solubility. The sulfonyl group may introduce additional interactions that can alter its solubility profile.

Predictions on Solubility

While exact solubility data may be sparse, one can make some reasonable predictions:

  • It may show limited solubility in water due to its hydrophobic regions.
  • In organic solvents such as ethanol or DMSO, it is likely to exhibit improved solubility, allowing for better stability and bioavailability.

In conclusion, the solubility of 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline is a complex interplay of its chemical structure and external environmental factors. Future studies could provide further insights into optimizing formulations that utilize this intriguing compound.

Interesting facts

Interesting Facts about 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

This compound, often referred to as a member of the isoquinoline family, presents several fascinating characteristics and potential applications that make it worthy of discussion in the field of chemistry.

Chemical Structure & Applications

  • Structural Diversity: The compound exhibits a complex structure that includes a chlorophenyl group and methoxy substituents, showcasing significant diversity in its molecular framework.
  • Pharmacological Potential: Isoquinoline derivatives have been widely studied for their potential pharmacological activities, including antitumor, anti-inflammatory, and neuroprotective effects.
  • Medicinal Chemistry: This specific isoquinoline structure could be a lead compound in designing new drugs, especially in enhancing the properties of existing pharmacophores.

Research Highlights

According to recent studies, compounds with similar structural motifs have been shown to:

  • Exhibit selective activity against various cancer cell lines.
  • Modulate neurotransmitter systems, suggesting potential applications in treating neurological disorders.

Synthesis & Challenges

The synthesis of this complex molecule can pose various challenges, including:

  • Multi-Step Synthesis: The production of this compound typically requires several reaction steps, each necessitating careful optimization.
  • Purity & Yield: Achieving high purity and yield can be difficult, impacting further research and development.

As stated by some chemists, “Understanding the nuances of complex molecules like this isoquinoline can lead to significant breakthroughs in drug development.” Thus, the exploration of such compounds continues to be a compelling area of study within medicinal chemistry.

Synonyms
FZX3EB4UST
UNII-FZX3EB4UST
22309-41-7
1-(2-((4-Chlorophenyl)thio)ethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
Isoquinoline, 1-(2-((4-chlorophenyl)thio)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-