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Ketotifen

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Identification
Molecular formula
C19H19N3OS
CAS number
34580-14-8
IUPAC name
4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
State
State

Ketotifen is typically in a solid state at room temperature. It is usually handled as a powder in pharmaceutical formulations.

Melting point (Celsius)
141.00
Melting point (Kelvin)
414.15
Boiling point (Celsius)
369.50
Boiling point (Kelvin)
642.65
General information
Molecular weight
309.44g/mol
Molar mass
309.4190g/mol
Density
1.2100g/cm3
Appearence

Ketotifen is a white or off-white crystalline powder. It is highly soluble in methanol and soluble in ethanol.

Comment on solubility

Solubility of 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one

The solubility of 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one is a crucial aspect to consider, particularly for its pharmaceutical applications. Understanding the solubility characteristics can greatly impact its formulation and bioavailability. Here are some key points to note:

  • General Solubility: This compound tends to display moderate solubility in polar solvents like ethanol and methanol, while being less soluble in non-polar solvents.
  • pH Dependence: The solubility may vary with changes in pH. It is recommended to assess solubility at different pH levels to optimize dissolution processes.
  • Solvent Interaction: The presence of functional groups, such as the piperazine moiety, can facilitate hydrogen bonding and enhance solubility in certain solvents.
  • Temperature Effects: An increase in temperature can often lead to increased solubility, making thermal analysis a valuable tool for understanding solubility behavior.

In conclusion, while the solubility of 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one is favorable under specific conditions, careful consideration of solvent, temperature, and pH is essential for application in drug development and formulation. As noted, "the road to achieving optimal solubility is paved with knowledge of the compound and its interactions." It is important for researchers and formulators to conduct thorough solubility studies to harness the full potential of this compound.

Interesting facts

Interesting Facts About 4-(4-Methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one

This intriguing compound boasts a unique structure that combines elements of both benzothiepin and piperazine, making it a subject of interest in medicinal chemistry. Here are some fascinating aspects of this compound:

  • Pharmacological Potential: The structure of this compound suggests potential activity in various therapeutic areas, especially in neuropharmacology. Many compounds with a similar backbone have shown promise as antidepressants or antipsychotics due to their interactions with neurotransmitter receptors.
  • Structural Features: The 1benzothiepin ring allows for significant molecular flexibility, which can positively influence the compound's ability to cross the blood-brain barrier. This is particularly important in drug design as it ensures that the compound reaches its target site within the central nervous system.
  • Modifications and Variants: The presence of the 4-methylpiperazine side chain is key in enhancing the compound's pharmacokinetic properties. Alterations to this group can lead to a variety of derivatives that may enhance potency, selectivity, or even reduce side effects.
  • Research Interest: Scientists are keen to explore the mechanism of action of this compound to understand how it interacts with different biological targets. This can lead to the development of better therapeutic agents with fewer side effects.
  • Quote from Research: “Understanding the interactions at a molecular level can open doors to innovations in treatment options rarely explored before,” a common sentiment shared in synthetic and medicinal chemistry circles.

In summary, 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one represents a rich avenue for research, driven by its unique chemical identity and the potential for medicinal applications. Its study continues to be a fascinating blend of synthetic chemistry and pharmacological exploration.