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Indacaterol

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Identification
Molecular formula
C24H28ClN3O3
CAS number
312753-06-3
IUPAC name
5-[5-[2-chloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole
State
State

Indacaterol is a solid at room temperature and is generally produced and utilized in its powdered form for medical applications.

Melting point (Celsius)
153.70
Melting point (Kelvin)
426.90
Boiling point (Celsius)
114.50
Boiling point (Kelvin)
387.70
General information
Molecular weight
392.89g/mol
Molar mass
392.8900g/mol
Density
1.3240g/cm3
Appearence

Indacaterol is typically a white to very slightly colored powder. It is not known to have any distinctive odor.

Comment on solubility

Solubility of 5-[5-[2-chloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole

The solubility of the compound 5-[5-[2-chloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole, with the formula C24H28ClN3O3, exhibits several interesting characteristics:

  • General Behavior: This compound is likely to be moderately soluble in organic solvents due to its complex structure and multiple functional groups.
  • Polarity: The presence of chlorine and the nitrogen atoms within the heterocyclic ring contribute to a balance of polarity, thus affecting solubility. Polar solvents such as dimethyl sulfoxide (DMSO) or methanol could enhance solubility.
  • Hydrophobic Regions: The alkyl chain and aromatic groups may lead to hydrophobic interactions that influence its solubility in aqueous solutions, suggesting reduced solubility in water.

In summary, one might expect this compound to show different solubility profiles depending on the environment and solvent used. For optimal use and application, understand that solubility is a crucial factor in determining how well this compound can be administered or reacted in various chemical processes. As the structure suggests, exploring both non-polar and polar solvents will provide insights into its solubility behavior.

Interesting facts

Interesting Facts about 5-[5-[2-chloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole

This compound, recognized for its remarkable structure, unfolds a series of intriguing attributes that warrant exploration. Below are some noteworthy facts:

  • Pharmacological Potential: With its complex molecular architecture, this compound holds promise in medicinal chemistry, particularly in the development of novel pharmaceuticals. Compounds of this nature often exhibit specific biological activities that could be harnessed for therapeutic applications.
  • Clorination Influence: The presence of the chlorine atom in its structure is crucial. Chlorinated compounds are known for their enhanced lipophilicity, which can lead to increased bioavailability and potency in biological systems.
  • Dihydrooxazole Moiety: The 4,5-dihydrooxazol-2-yl group is notable for its role in drug development. This heterocyclic structure often contributes to the compound’s target specificity and overall pharmacodynamics.
  • Isoxazole Ring: Characteristic of various bioactive compounds, the isoxazole ring can participate in multiple chemical reactions and may play a critical role in acting as a metabolic precursor.
  • Structure-Activity Relationship (SAR): Researching this compound could lead to insights into SAR, which investigates how chemical structure influences biological activity. This understanding is essential for the rational design of new drugs.
  • Potential Applications: Beyond medicinal uses, such compounds could find applications in agrochemicals or material sciences, showcasing their versatility in chemical properties.

In summary, 5-[5-[2-chloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole encapsulates a breadth of chemical intrigue. As scientists delve into its properties and potential applications, it stands as a testament to the complexities and creative possibilities found within organic chemistry.

Synonyms
Compound VII
Win 53338
Win-53338
98033-68-2
5-(5-(6-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
IVZ08DAW25
5-(5-(6-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole
5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
CHEBI:47727
WIN53338
5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole
Isoxazole, 5-(5-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl-
5-(5-(2-CHLORO-4-(4,5-DIHYDRO-1,3-OXAZOL-2-YL)PHENOXY)PENTYL)-3-METHYL-1,2-OXAZOLE
5-{5-[2-Chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole
Isoxazole, 5-[5-[2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl]-3-methyl-
UNII-IVZ08DAW25
CHEMBL6444
SCHEMBL9666735
DTXSID50913499
DB08719
PD004183
NS00068539
C06489
Q27097904
5-[5-[2-chloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole