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Esculetin

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Identification
Molecular formula
C19H12O10
CAS number
305-01-1
IUPAC name
5-[3-(2-carboxy-4-oxo-chromen-6-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid
State
State

At room temperature, esculetin is typically found in a solid state as a powder or crystalline solid.

Melting point (Celsius)
271.00
Melting point (Kelvin)
544.00
Boiling point (Celsius)
-1.00
Boiling point (Kelvin)
-1.00
General information
Molecular weight
368.28g/mol
Molar mass
368.2750g/mol
Density
1.5940g/cm3
Appearence

Esculetin appears as an off-white to light brown powder or crystalline solid. It may have a faint characteristic odor depending on the source and purity of the sample.

Comment on solubility

Solubility of 5-[3-(2-carboxy-4-oxo-chromen-6-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid

The solubility of 5-[3-(2-carboxy-4-oxo-chromen-6-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid is influenced by its complex structure, which contains multiple functional groups. Understanding its solubility characteristics can provide essential insights into its potential applications:

  • Polar Groups: The presence of carboxylic acid (-COOH) and hydroxyl (-OH) groups contributes to increased polarity, potentially enhancing solubility in polar solvents such as water.
  • Hydrophobic Regions: Conversely, the chromene structure can introduce hydrophobic characteristics, which may decrease its solubility in aqueous solutions. The balance of these opposing traits must be assessed.
  • pH Dependence: The solubility may also vary with pH. At different pH levels, the ionization of carboxylic acid groups can significantly affect whether the compound remains in solution or precipitates out.

In summary, while the compound has the potential to exhibit considerable solubility in water due to its polar functional groups, the overall solubility behavior is complex and dependent on the balance between its hydrophilic and hydrophobic components. Further empirical studies and experiments are essential to quantify its solubility accurately.

Interesting facts

Interesting Facts about 5-[3-(2-carboxy-4-oxo-chromen-6-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid

This compound, with a complex structure, is a derivative of chromene, a class of compounds known for their diverse biological activities. Here are some intriguing details that you might find fascinating:

  • Bioactivity: Chromene derivatives have been studied for various pharmacological activities, including anti-inflammatory, antioxidant, and anticancer properties. This compound holds promise for potential therapeutic applications in medicine.
  • Structure: The presence of multiple functional groups, such as carboxylic acids and hydroxyl groups, makes this compound a subject of interest in the field of medicinal chemistry, as these groups can affect the compound's reactivity and biological activity.
  • Natural Sources: Compounds with chromene structures are commonly found in nature, particularly in plant secondary metabolites, making them crucial in traditional medicine and herbal remedies.
  • Applications: Besides its potential pharmaceutical implications, this compound could also be explored for its applications in organic synthesis and materials science due to the rich chemistry of its chromene framework.
  • Research Interest: Ongoing research into chromene derivatives continues to unveil new insights into their biological mechanisms and applications, highlighting the importance of compounds like this in innovative drug development.

In summary, 5-[3-(2-carboxy-4-oxo-chromen-6-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid is not just a chemical entity but a potential candidate for the development of novel therapeutic agents. As research progresses, the impact of such compounds on human health and disease treatment remains a pivotal focus in medicinal chemistry.

Synonyms
CHEMBL4088679
SCHEMBL11237289
NCGC00188945-01
5-[(2R)-3-(2-carboxy-4-oxochromen-6-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid