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TNBPTS

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Identification
Molecular formula
C21H16N8O9S2
CAS number
75047-18-2
IUPAC name
4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfo-phenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitro-benzenesulfonate
State
State

At room temperature, 4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfo-phenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitro-benzenesulfonate is a solid. It is often kept in a moisture-controlled environment to maintain its stability and efficacy, indicating it may be somewhat hygroscopic.

Melting point (Celsius)
220.00
Melting point (Kelvin)
493.00
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.00
General information
Molecular weight
601.55g/mol
Molar mass
601.5490g/mol
Density
1.8000g/cm3
Appearence

4-Methoxy-5-[3-(2-methoxy-4-nitro-5-sulfo-phenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitro-benzenesulfonate is typically observed as a yellow crystalline powder. The color and crystalline nature are primarily due to the presence of nitro and sulfonate groups in its structure. The compound may show variations in color intensity depending on the batch and specific synthesis methods used.

Comment on solubility

Solubility of 4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfo-phenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitro-benzenesulfonate

The solubility of 4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfo-phenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitro-benzenesulfonate (C21H16N8O9S2) can be influenced by various factors, given its complex structure. This compound contains multiple functional groups which significantly affect its solubility properties. Here are some key considerations:

  • Polar Groups: The presence of sulfonate and nitro groups contributes to the overall polarity of the molecule, suggesting potential solubility in polar solvents.
  • Aromatic Systems: The aromatic rings may hinder solubility in certain solvents due to π-π stacking interactions.
  • Solvent Type: It is likely to be more soluble in water or polar aprotic solvents rather than in non-polar solvents.
  • Temperature Effects: Increased temperature could enhance solubility, as is typical for many solid compounds.

In summary, while the intricate structure of this compound suggests potential solubility in polar environments, actual solubility will depend on specific conditions and interactions with various solvents. Experimental evaluation is essential to obtain precise solubility data. As the saying goes, "All solubility is personal," emphasizing the importance of environmental factors in determining the behavior of chemical compounds in solution.

Interesting facts

Exploring 4-Methoxy-5-[3-(2-Methoxy-4-Nitro-5-Sulfo-Phenyl)-5-(Phenylcarbamoyl)Tetrazol-2-Ium-2-Yl]-2-Nitro-Benzenesulfonate

This intriguing compound, with a complex synthesis and multifunctional applications, invites a deeper understanding of its chemical characteristics and potential uses. Here are some captivating facts about this compound:

  • Structure Complexity: The compound features a multi-ring structure, characteristic of many biologically active molecules. Its design showcases how different functional groups can be integrated, resulting in enhanced properties.
  • Biological Relevance: Compounds like this often play a role in medicinal chemistry, where they may exhibit antimicrobial or anti-inflammatory benefits. Researchers are continually investigating its potential application in drug development.
  • Research Insights: Due to its sulfonate group, it can behave as a zwitterion, altering the compound's solubility and interaction with biological systems. Such properties can influence its pharmacokinetics and pharmacodynamics.
  • Environmental Impact: The presence of nitro groups in the compound suggests it may undergo reduction in certain environmental conditions, making its fate in nature a subject of study.
  • Synthetic Pathways: The synthesis of such complex molecules is a testament to modern organic chemistry techniques, including multi-step reactions that demonstrate ingenuity in chemical manipulation.

In summary, 4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfo-phenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitro-benzenesulfonate represents a fascinating intersection of chemistry and pharmacology, illustrating the ever-evolving landscape of compound development and the significant implications it holds for future research.

Synonyms
Xtt tetrazolium
117038-70-7
2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2H-tetrazolium hydroxide
2,3-bis (2-methoxy-4-nitro-5-sulfophenyl)-2h-tetrazolium-5-carboxanilide
DTXSID00151687
2H-Tetrazolium, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-, hydroxide, inner salt
2,3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-2H-tetrazolium inner salt
G6SHJ3NX67
CHEMBL3546154
DTXCID6074178
2H-Tetrazolium, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-, inner salt
4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfophenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitrobenzenesulfonate