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Identification
Molecular formula
C40H52N6O7S
CAS number
135561-43-0
IUPAC name
S-[5-[6-(1-methoxyindol-3-yl)-2,5,8,11-tetraoxo-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]pentyl] ethanethioate
State
State

At room temperature, this compound is generally found in a solid state, specifically in powder form.

Melting point (Celsius)
128.00
Melting point (Kelvin)
401.15
Boiling point (Celsius)
255.00
Boiling point (Kelvin)
528.15
General information
Molecular weight
765.93g/mol
Molar mass
765.9330g/mol
Density
1.3000g/cm3
Appearence

The compound presents as a white to off-white powder. It is not known to have any distinct odor and is typically found in a crystalline form.

Comment on solubility

Solubility of S-[5-[6-(1-methoxyindol-3-yl)-2,5,8,11-tetraoxo-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]pentyl] ethanethioate (C40H52N6O7S)

The solubility of S-[5-[6-(1-methoxyindol-3-yl)-2,5,8,11-tetraoxo-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]pentyl] ethanethioate is a complex subject due to its multifaceted structure. Several factors influence its solubility:

  • Molecular Complexity: This compound has a large molecular weight and several functional groups, which can affect how well it dissolves in various solvents.
  • Polarity: The presence of hydrophobic (e.g., sec-butyl and indole groups) and hydrophilic components (e.g., thioate group) dictates solubility. Generally, more polar solvents will favor polar compounds.
  • Solvent Types: It may exhibit differing solubility in:
    • Polar solvents: Such as water and alcohols, which may enhance solubility due to the hydrophilic groups.
    • Non-polar solvents: Such as hexane or toluene, where non-polar regions of the molecule may favor dissolution.
  • Temperature: Increasing temperature can improve solubility for many compounds, and this may apply here as well.

In general, it is advisable to note that due to the unique nature of this compound, experimental determination is crucial for understanding its solubility properties. As a point of reference, compounds of similar structure often display varied solubility in different solvents, which further emphasizes the need for careful study.

Interesting facts

Interesting Facts about S-[5-[6-(1-methoxyindol-3-yl)-2,5,8,11-tetraoxo-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]pentyl] ethanethioate

This intriguing compound boasts a complex structure that represents a fusion of various chemical functionalities. Its design caters to the growing interest in bioactive molecules within pharmacology and medicinal chemistry.

Key Highlights:

  • Unique Structure: The compound features a unique bicyclic framework, which is characteristic of many naturally occurring alkaloids. This could hint at possible therapeutic effects.
  • Indole Derivative: The incorporation of a methoxyindole moiety may suggest interesting biological activity, as indoles are known to play a role in neurotransmission and have pharmacological potential.
  • Multiple Functional Groups: With tetraoxo groups along with the thioate, the compound is composed of diverse functional groups that can interact in specific biological contexts, making it a candidate for drug development.
  • Potential Applications: For researchers, this compound might be a subject of interest in the fields of drug discovery, particularly in exploring its efficacy against various diseases.
  • Analytical Chemistry: Due to its intricate structure, various techniques such as NMR spectroscopy and mass spectrometry would be invaluable for researchers seeking to understand its properties and potential uses.

As scientists delve deeper into the study of compounds like this one, they might uncover new modes of action and solutions to existing medical challenges. The future of such compounds could pave the way for novel therapeutics and enhancements in patient care.