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Sulfonate derivative of Theophylline

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Identification
Molecular formula
C16H18N4O6S
CAS number
Not Available
IUPAC name
4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid
State
State

The compound is in a solid state at room temperature. It is typically stable under recommended storage conditions and does not easily volatilize.

Melting point (Celsius)
268.10
Melting point (Kelvin)
541.25
Boiling point (Celsius)
387.90
Boiling point (Kelvin)
661.05
General information
Molecular weight
408.44g/mol
Molar mass
408.4350g/mol
Density
1.4330g/cm3
Appearence

This compound appears as a crystalline powder, typically white to off-white in color. It may be described with a fine granular texture and may also be odorless.

Comment on solubility

Solubility of 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid

The solubility of 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid (C16H18N4O6S) can be influenced by several factors. Understanding its solubility is essential for applications in pharmaceuticals and chemical synthesis. Here are some key points regarding its solubility:

  • Solvent Compatibility: This compound may show variable solubility in polar solvents such as water or methanol, but it might exhibit different behavior in non-polar solvents.
  • pH Dependence: The solubility can be affected by the pH of the solution, due to the presence of the sulfonic acid group which can readily ionize. This means it might be more soluble in acidic conditions.
  • Temperature Influence: Increasing temperature generally enhances solubility; however, the specific characteristics of this compound will determine how significantly this applies.
  • Hydrogen Bonding: The presence of functional groups may allow for hydrogen bonding interactions, affecting solubility through intermolecular forces.
  • Concentration Factors: As with many organic compounds, solubility can vary significantly with concentration; understanding the saturation point is crucial for practical applications.

In conclusion, while the solubility of 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid is influenced by multiple factors, determining the optimal conditions for its use can help in achieving desired outcomes in various chemical processes.

Interesting facts

Interesting Facts about 4-(2,6-Dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic Acid

This compound is a fascinating example of a complex organic molecule that showcases the versatility of purine-derived structures. As a purine derivative, it has remarkable relevance in several fields including biochemistry and pharmacology.

Key Highlights:

  • Pharmaceutical Potential: Its structure suggests that it may have interesting interactions with biomolecules, hinting at potential applications in drug design particularly in targeting nucleic acid structures.
  • Multi-functional Groups: The presence of both sulfonic acid and ketone functional groups indicates that this compound might display acidity and reactivity, making it valuable in various chemical reactions.
  • Biological Significance: Purines are crucial for various biological processes, including DNA and RNA synthesis, highlighting how derivatives like this compound can play roles in cellular activities.
  • Research Applications: Compounds such as this are often studied for their role in medicinal chemistry, especially in the development of nucleoside analogs that can significantly influence therapeutic strategies.

As the renowned chemist Linus Pauling once stated, “The best way to have a good idea is to have a lot of ideas.” This compound exemplifies this notion; its intricate framework opens the door to numerous avenues for exploration in the field of organic and medicinal chemistry.

Overall, 4-(2,6-Dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid exemplifies how a single chemical structure can have broad implications, transcending its molecular complexity to engage with fundamental biological concepts and practical applications.

Synonyms
1,3-Dipropyl-8-p-sulfophenylxanthine
89073-57-4
DPSPX
1,3-Dspx
1,3-Dipropyl-8-(4-sulfophenyl)xanthine
4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid
1,3-Dipropyl-8-sulfophenylxanthine
4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid
1,3-Dipropyl-8-(p-sulfophenyl)xanthine
CHEMBL418333
DTXSID70237528
4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonic acid
PSPX
Benzenesulfonic acid, 4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-
Lopac-A-022
Lopac0_000145
MLS002153336
SCHEMBL1321892
DTXCID20160019
IWALGNIFYOBRKC-UHFFFAOYSA-N
HMS2231H19
HMS3260M12
HMS3374O06
Tox21_500145
BDBM50018162
CCG-204240
LP00145
SDCCGSBI-0050133.P002
NCGC00015001-01
NCGC00015001-02
NCGC00015001-03
NCGC00015001-04
NCGC00015001-06
NCGC00093635-01
NCGC00093635-02
NCGC00260830-01
PD015415
SMR000326868
A-022
EU-0100145
1,3-Dipropyl-8-(p-sulfophenyl)xanthine, powder
SR-01000075228
SR-01000075228-1
4-(1,3-dipropyl-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid
4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid
4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid:1/4 moles H2O