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Etodolac

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Identification
Molecular formula
C17H21Cl2N2O4S
CAS number
41340-25-4
IUPAC name
[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate
State
State

Etodolac is in a solid state at room temperature.

Melting point (Celsius)
145.00
Melting point (Kelvin)
418.15
Boiling point (Celsius)
514.60
Boiling point (Kelvin)
787.80
General information
Molecular weight
356.78g/mol
Molar mass
356.7790g/mol
Density
1.3210g/cm3
Appearence

Etodolac appears as a white to off-white crystalline powder.

Comment on solubility

Solubility of 2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate

The solubility of 2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate (C17H21Cl2N2O4S) can be assessed based on its unique molecular structure and composition. Several factors contribute to its solubility characteristics:

  • Polarity: The presence of multiple polar functional groups, such as amino and hydroxyl groups, enhances solubility in polar solvents like water.
  • Chlorine Atoms: The two Cl atoms introduce a degree of hydrophobicity, which may affect solubility in non-polar solvents.
  • Molecular Interaction: The sulfonyl group contributes to possible hydrogen bonding, promoting solubility in polar environments.

Overall, the balance between the hydrophilic and hydrophobic parts of the molecule leads to the expectation of moderate solubility in aqueous solutions. In practical terms, this can indicate:

  1. High solubility in water due to ionization of amino groups.
  2. Potentially low solubility in non-polar organic solvents.
  3. Variable behavior depending on temperature and pH of the solution.

As is often the case with complex organic compounds, empirical testing in various solvents is essential to accurately determine solubility profiles.

Interesting facts

Interesting Facts about 2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate

This compound belongs to a category known for its significance in the field of medicinal chemistry. Notably, it exhibits properties that may be beneficial from both therapeutic and research perspectives. Here are some intriguing aspects of this particular compound:

  • Pharmaceutical Potential: Compounds with similar structures have been investigated for their role as potential drug candidates, particularly in the treatment of various diseases. The presence of functional groups such as amino and hydroxy suggests possible interactions with biological targets.
  • Chlorinated Compounds: The presence of dichloroacetyl moieties can enhance the lipophilicity of the compound, improving its permeability across biological membranes. This characteristic is critical for drug design, leading to better absorption and effectiveness.
  • Sulfonyl Group Impact: The attachment of a methylsulfonyl group indicates that this compound may have significant interactions with proteins or enzymes, potentially leading to varied pharmacological effects.
  • Structure-Activity Relationship: The intricate structure allows for extensive studies in structure-activity relationships (SAR), which can be vital for optimizing the efficacy and specificity of new pharmaceutical agents.
  • Research Applications: Beyond medicinal applications, this compound can also serve as a valuable research tool in chemical biology studies, facilitating the exploration of biochemical pathways and mechanisms.

With its unique arrangement of functional groups and potential biological activity, 2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate stands out as a fascinating subject in both pharmacological research and chemical synthesis. The ongoing exploration of similar molecules could yield exciting discoveries, underscoring the dynamic nature of modern drug development.

Synonyms
2-(2,2-Dichloroacetamido)-3-hydroxy-3-[4-(methanesulfonyl)phenyl]propyl glycinate
97378-26-2
DTXSID40274465