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Indoxyl sulfate

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Identification
Molecular formula
C8H6NO4S
CAS number
487-90-1
IUPAC name
3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxypropylphosphonic acid
State
State

At room temperature, indoxyl sulfate is in a solid state, often existing as crystalline powder. It is non-volatile and stable under normal conditions.

Melting point (Celsius)
229.00
Melting point (Kelvin)
502.15
Boiling point (Celsius)
260.00
Boiling point (Kelvin)
533.15
General information
Molecular weight
251.27g/mol
Molar mass
251.2670g/mol
Density
1.6000g/cm3
Appearence

Indoxyl sulfate is generally found as a solid, and it is typically a white or off-white powder. Its crystalline form can exhibit slight off-white hues.

Comment on solubility

Solubility of 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxypropylphosphonic acid

The solubility of this specific compound, 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxypropylphosphonic acid with the chemical formula C8H6NO4S, is a topic of interest due to its complex structure. Understanding the solubility characteristics of this compound can provide insight into its potential applications in various fields.

Factors Influencing Solubility

Several factors play a significant role in the solubility of compounds like this one:

  • Polarity: The presence of polar functional groups can enhance solubility in polar solvents, such as water.
  • Hydrogen Bonding: Compounds capable of hydrogen bonding often exhibit improved solubility, especially in aqueous solutions.
  • pH Level: For acidic and basic compounds, the pH of the solution can significantly affect solubility, potentially enhancing it through ionization.
  • Temperature: Increasing temperature can increase solubility for many solid compounds by providing the necessary energy to break intermolecular forces.

Expected Solubility Characteristics

Based on its molecular structure, one might expect this compound to:

  • Have moderate solubility in water due to the presence of polar groups.
  • Exhibit better solubility in organic solvents due to hydrophobic regions in its structure.

Overall, while specific solubility data may not be readily available, the predicted behaviors outlined above can guide researchers in selecting appropriate solvents for this compound. As with many complex organic compounds, empirical testing will provide the most definitive insights into its solubility.

Interesting facts

Interesting Facts about 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxypropylphosphonic acid

This fascinating compound possesses a complex structure that underscores the beautiful intricacies of organic chemistry. With a rich combination of functional groups, including amines, esters, and phosphonic acid, this molecule exemplifies the potential for diverse reactivity, making it a subject of interest in medicinal chemistry.

Key Characteristics:

  • Phosphonic Acid Derivative: The presence of the phosphonic acid functional group lends this compound potential applications in agriculture, specifically in the development of herbicides and plant growth regulators.
  • Biological Activity: Compounds that contain aromatic structures, such as the indole moiety found here, often demonstrate significant biological activities, which makes this compound a promising candidate for pharmaceutical research.
  • Synthetic Versatility: The functional groups present allow this compound to be modified further, which can lead to the synthesis of analogs with varied and potentially enhanced biological properties.

Furthermore, the indole ring is a key pharmacophore in numerous pharmaceutical agents, making this compound particularly interesting for drug development. As chemists explore the interactions between the various functional groups, they open doors to innovative therapeutic applications. As stated by renowned chemist, "To understand the structure is to unlock the potential," thus emphasizing the importance of such compounds in scientific exploration.

In conclusion, 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxypropylphosphonic acid epitomizes the blend of charm and complexity that characterizes advanced organic compounds, paving the way for future research that could yield significant advancements in both medicinal and agricultural fields.

Synonyms
[3-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-]-PHOSPHONIC ACID
CHEMBL149502
[3-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-propyl]-phosphonic acid
(3-((1-benzyl-3-(carbamoylmethyl)-2-methyl-1H-indol-5-yl)oxy)propyl)phosphonic acid
(3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-)-Phosphonic Acid
(3-{[1-benzyl-3-(carbamoylmethyl)-2-methyl-1h-indol-5-yl]oxy}propyl)phosphonic acid
hnpsPLA2-IIa Inhibitor, 1
8IN
SCHEMBL5001034
AQEYCNKFBRLUOT-UHFFFAOYSA-N
BDBM50055341
DB02504
(3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-methyl-1H-indol-5-yl]oxy}propyl)phosphonic acid
PD007915
NS00068602
Q27093490
[3-(1-benzyl-3-carbamoylmethyl-2-methyl-1 h-indol-5-yloxy)-propyl-]-phosphonic acid