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Thiodiazepanedione derivative

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Identification
Molecular formula
C32H32N2O10S
CAS number
123456-78-9
IUPAC name
2-[[4-[hydroxy(methoxy)methyl]phenyl]methyl]-7-[[4-(hydroxymethyl)phenyl]methyl]-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol
State
State

At room temperature, this compound is a solid.

Melting point (Celsius)
120.00
Melting point (Kelvin)
393.15
Boiling point (Celsius)
150.00
Boiling point (Kelvin)
423.15
General information
Molecular weight
588.67g/mol
Molar mass
588.6730g/mol
Density
1.3500g/cm3
Appearence

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

Comment on solubility

Solubility Overview of the Compound

The compound 2-[[4-[hydroxy(methoxy)methyl]phenyl]methyl]-7-[[4-(hydroxymethyl)phenyl]methyl]-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol (C32H32N2O10S) exhibits some intriguing solubility characteristics due to its complex structure. The extensive functional groups, including multiple hydroxyl and methoxy groups, influence its interactions with various solvents.

Typical Solubility Behavior

This compound tends to show:

  • Good solubility in polar solvents: The presence of hydroxyl (-OH) groups typically enhances interactions with water, leading to better solubility in aqueous environments.
  • Moderate solubility in organic solvents: While polar organic solvents like methanol or ethanol may dissolve this compound reasonably well, non-polar solvents such as hexane are likely to exhibit poor solubility.
  • pH-dependent solubility: The compound may demonstrate varying solubility characteristics at different pH levels, as the ionization of its functional groups can influence solubility.

Potential Applications Influenced by Solubility

Understanding how this compound dissolves is crucial for its applications in pharmaceuticals and materials science. As such:

  • Drug formulation: The solubility profile will affect bioavailability and therapeutic effectiveness.
  • Chemical synthesis: Solubility can influence reaction kinetics and product yields during synthesis.

In summary, the solubility of this compound is a complex interplay of its structural features and the solvent properties, making it pivotal for further research and practical applications. As with many organic compounds, assessing solubility in diverse conditions is vital for optimizing its utility.

Interesting facts

Interesting Facts about 2-[[4-[hydroxy(methoxy)methyl]phenyl]methyl]-7-[[4-(hydroxymethyl)phenyl]methyl]-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol

This compound is a remarkable example of the intricate world of **organic chemistry**, showcasing a complex fusion of functionality and structure. Here are some fascinating insights:

  • Thiadiazepane Structure: The compound features a rare thiadiazepane ring, which is a 7-membered heterocyclic compound that often exhibits unique chemical properties due to its sulfur and nitrogen components.
  • Hydroxymethyl Substitution: The presence of multiple hydroxymethyl (-CH2OH) side chains enhances its solubility and reactivity, making it an interesting target for synthesis in pharmacology and materials science.
  • Phenolic Components: With various phenyl rings attached, this compound may possess notable antioxidant properties, suggesting potential applications in medicinal chemistry, especially as drug candidates or additives.
  • Synthetic Versatility: The intricate design of this molecule opens up pathways for **synthesis and derivatization**, allowing chemists to explore modifications that could lead to new functional compounds.
  • Potential Therapeutic Uses: The biological activity of related compounds has been researched extensively, highlighting the possibility that this complex structure could play a role in drug discovery focused on targeting specific diseases or conditions.

As with many compounds of its kind, the journey of exploring its chemistry not only adds to our understanding of molecular interactions but also sparks imagination in the design of new materials and therapeutic agents. Emphasis on its structure and function can inspire both chemistry students and professionals in the field to delve deeper into its potential!

Synonyms
SCHEMBL5003599
PD041069