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L-690,330

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Identification
Molecular formula
C25H28ClFN2O2
CAS number
146142-82-9
IUPAC name
1-(4-fluorophenyl)-4-(10-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one;chloride
State
State

This compound is typically found in a solid state at room temperature.

Melting point (Celsius)
145.50
Melting point (Kelvin)
418.60
Boiling point (Celsius)
324.60
Boiling point (Kelvin)
597.80
General information
Molecular weight
413.91g/mol
Molar mass
413.9080g/mol
Density
1.2700g/cm3
Appearence

The compound typically appears as a white to off-white crystalline powder.

Comment on solubility

Solubility of 1-(4-fluorophenyl)-4-(10-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one;chloride

The solubility of the compound 1-(4-fluorophenyl)-4-(10-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one; chloride is influenced by several factors:

  • Polar vs. Non-Polar: This compound contains a quaternary ammonium structure, which typically increases its solubility in polar solvents such as water.
  • Functional Groups: The presence of methoxy and fluorine groups contributes to its overall polar character, enhancing solubility in aqueous media.
  • Ionization: As a chloride salt, the ionization of the compound in water is significant, allowing it to dissolve effectively due to dissociation into ions.

In summary, the solubility of this compound is expected to be relatively high in polar solvents, primarily due to its quaternary ammonium nature and the presence of functional groups that promote hydrophilicity. It reflects the general chemical principle: “like dissolves like”, meaning polar substances dissolve well in polar solvents.

Interesting facts

Interesting Facts about 1-(4-fluorophenyl)-4-(10-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one; chloride

This intriguing compound, often abbreviated for ease of reference, presents a fascinating blend of structural features that make it a point of interest in organic and medicinal chemistry. Notably, it contains elements that contribute to its potential therapeutic applications, particularly in the fields of neuroscience and pharmacology.

Key Structural Features:

  • Fluorophenyl Group: The presence of the 4-fluorophenyl moiety enhances the compound's lipophilicity, which can influence its ability to cross the blood-brain barrier.
  • Hexahydroazepino[4,5-b]indole: This unique bicyclic structure is known for its interesting biological activities and has been studied for its effects on neurotransmitter systems.
  • Methoxy Group: The methoxy functional group can play a significant role in modulating biological activity, often enhancing solubility and bioavailability.

Researchers often explore compounds like this one for their potential as:

  1. Antidepressants: Due to their interaction with the central nervous system.
  2. Neuroprotective Agents: The indole structure is frequently linked to neuroprotective properties.
  3. Novel Drug Development: This compound's unique design offers opportunities for tailored pharmacological effects.

In summary, the compound 1-(4-fluorophenyl)-4-(10-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one; chloride showcases the versatility and complexity characteristic of modern pharmaceutical research. As scientists continue to investigate its properties, it may reveal more about its potential applications and mechanisms of action, paving the way for breakthroughs in pharmacotherapy.

Synonyms
23901-26-0
Butyrophenone, 4'-fluoro-4-(10-methoxy-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, hydrochloride
RefChem:1080519