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Varenicline

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Identification
Molecular formula
C13H13N3O4S2
CAS number
249296-44-4
IUPAC name
N-[3-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-8-(hydroxyamino)-8-oxo-octanamide
State
State

At room temperature, this compound is typically found in a solid state.

Melting point (Celsius)
230.00
Melting point (Kelvin)
503.15
Boiling point (Celsius)
499.10
Boiling point (Kelvin)
772.30
General information
Molecular weight
211.33g/mol
Molar mass
211.3260g/mol
Density
1.5400g/cm3
Appearence

This compound typically takes the form of a white to off-white powder. It is often characterized by its crystalline texture.

Comment on solubility

Solubility of N-[3-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-8-(hydroxyamino)-8-oxo-octanamide

The solubility of the compound N-[3-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-8-(hydroxyamino)-8-oxo-octanamide (C13H13N3O4S2) can be influenced by several factors, including its molecular structure and functional groups.

Generally, the solubility of organic compounds can be evaluated by considering the following factors:

  • Polarity: The presence of hydroxyl (-OH) or amine (-NH2) groups can enhance solubility in polar solvents such as water.
  • Hydrophobic Characteristics: Aromatic and sulfur-containing moieties may impart hydrophobic characteristics, potentially lowering solubility in aqueous environments.
  • Molecular Interactions: The ability to form hydrogen bonds can significantly influence solubility; compounds capable of extensive hydrogen bonding typically exhibit higher solubility in polar solvents.

Given the complex structure of this compound, it might exhibit variable solubility depending on the solvent used:

  • In polar solvents: Likely more soluble due to the presence of hydroxyl and amine functionalities.
  • In non-polar solvents: Solubility may be limited due to hydrophobic groups present in the structure.

In conclusion, while specific quantitative solubility data may be limited, the interplay of polar and hydrophobic components within N-[3-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-8-(hydroxyamino)-8-oxo-octanamide is critical in determining its solubility characteristics. Understanding these interactions is essential for predicting behavior in various chemical contexts.

Interesting facts

Exploring the Unique Aspects of N-[3-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-8-(hydroxyamino)-8-oxo-octanamide

N-[3-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-8-(hydroxyamino)-8-oxo-octanamide is a compound that showcases a fascinating interplay of functionality and structural complexity.

Key Highlights

  • Innovative Structure: The compound features a unique fusion of multiple functional groups that includes benzothiazole derivatives, which are known for their significant biological activity.
  • Potential Applications: Due to the presence of hydroxymethyl and hydroxyamino groups, this compound may have promising anti-cancer or antibiotic properties, warranting further pharmacological studies.
  • Safety and Efficacy: As with many organic compounds with sulfonamide features, researchers are keen to ensure both safety and therapeutic efficacy through rigorous testing.

This compound is a remarkable subject of study not only for its potential medicinal benefits but also for its rich chemical architecture, making it a centerpiece in discussions about medicinal chemistry and synthetic organic chemistry. It is imperative for scientists to dissect the structural nuances of such compounds, as they often provide insights into the development of new therapeutic agents. The intricate balance of hydrophobic and hydrophilic elements in the molecule also suggests interesting interactions with biological systems.

Conclusion

The exploration of N-[3-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-8-(hydroxyamino)-8-oxo-octanamide epitomizes the journey of modern chemistry towards creating compounds that could pave the way for therapeutic advancements. As research continues, this compound may unveil new horizons in drug development.