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N-[[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]-5-(hydroxyamino)-5-oxo-pentanamide

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Identification
Molecular formula
C26H25N3O6S2
CAS number
129221-53-0
IUPAC name
N-[[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]-5-(hydroxyamino)-5-oxo-pentanamide
State
State

This compound exists as a solid at room temperature due to its relatively high molecular weight and complex structure which contributes to strong intermolecular forces.

Melting point (Celsius)
250.00
Melting point (Kelvin)
523.00
Boiling point (Celsius)
600.00
Boiling point (Kelvin)
873.00
General information
Molecular weight
553.67g/mol
Molar mass
553.6650g/mol
Density
1.3000g/cm3
Appearence

This compound is typically seen as a crystalline solid at room temperature, appearing as white or off-white crystals. The exact appearance can vary slightly depending on purity and specific preparation methods.

Comment on solubility

Solubility of N-[[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]-5-(hydroxyamino)-5-oxo-pentanamide

The solubility of the compound N-[[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]-5-(hydroxyamino)-5-oxo-pentanamide (C26H25N3O6S2) is a critical parameter that can influence its application and effectiveness. Here are some key points regarding its solubility:

  • Polarity: The presence of various functional groups, including hydroxyl and amine groups, suggests that this compound may exhibit moderate to high polarity.
  • Solvent Interaction: It is likely to be soluble in polar solvents such as water and methanol due to its ability to form hydrogen bonds.
  • Hydrophobicity: The benzothiazole moiety introduces some hydrophobic characteristics, which may limit solubility in non-polar solvents.
  • pH Dependency: The solubility could be affected by the pH of the solution, as the ionization of the amine group may enhance solubility in more basic conditions.

In summary, while the compound exhibits potential for solubility in polar environments, factors such as pH and the presence of hydrophobic elements should be considered for practical applications. As noted, "the solubility characteristics can dictate the compound's reactivity and utility in various chemical processes."

Interesting facts

Interesting Facts about N-[[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]-5-(hydroxyamino)-5-oxo-pentanamide

This complex compound, often referred to as a benzothiazole derivative, showcases the intricate interplay of various chemical functionalities. Here are some fascinating points to consider:

  • Versatility in Applications: Compounds with a benzothiazole backbone are renowned for their diverse biological activities. They play a significant role in medicinal chemistry due to their potential in treating various diseases, including cancer.
  • Multi-Functional Groups: This specific compound contains multiple functional groups, such as amides, hydroxyls, and dioxanes. Each of these contributes to its reactivity and potential interactions in biological systems.
  • Innovative Design: The presence of a hydroxyamino group and a dioxane moiety suggests that this compound could be designed for targeted drug delivery. This could enhance therapeutic efficacy while reducing side effects.
  • Small Molecular Innovations: The molecular structure reflects extensive synthetic chemistry techniques, emphasizing how small variations in molecular design can lead to substantial changes in biological activity.
  • Chemical Stability: The arrangement of sulfur and nitrogen atoms may contribute to unique stability profiles, making this compound a candidate for further exploration in pharmaceutical formulations.

In summary, N-[[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]-5-(hydroxyamino)-5-oxo-pentanamide is a prime example of the complexities of modern synthetic chemistry. As scientists continue to explore such compounds, the potential for groundbreaking advancements in medicine and material science remains vast.