Atorvastatin calcium | Solubility of Things

Identification

Molecular formula

C₃₃H₃₅FN₂NaO₅

CAS number

134523-03-8

IUPAC name

ethyl 4-[[2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pentanoate

State

The compound is typically found in a solid state at room temperature.

Melting point (Celsius)

159.00

Melting point (Kelvin)

432.15

Boiling point (Celsius)

300.00

Boiling point (Kelvin)

573.15

General information

Molecular weight

558.64g/mol

Molar mass

1 209.4210g/mol

Density

1.2000g/cm³

Appearence

Atorvastatin calcium appears as a white to off-white crystalline powder. It is tasteless and odorless, making it suitable for pharmaceutical formulations. The powder is typically used in the preparation of tablet forms of the drug.

Comment on solubility

Solubility of Ethyl 4-[[2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pentanoate

The solubility of the chemical compound with the formula C₃₃H₃₅FN₂NaO₅ is of significant interest due to its complex structure. The presence of various functional groups and a sodium component suggests that this compound has specific solubility behavior in polar and non-polar solvents. Below are key considerations regarding its solubility:

Polar Solvents: The ionic nature contributed by the sodium (Na) cation indicates a likelihood of solubility in polar solvents such as water. Ionic compounds generally show strong interactions with water molecules.
Non-Polar Solvents: Given that the compound contains several aromatic and hydrophobic segments, it may exhibit some degree of solubility in non-polar solvents like chloroform or toluene, although this will likely be limited compared to its solubility in polar solvents.
pH Dependence: The solubility may also be affected by the pH of the solution, especially if the functional groups can ionize. Changes in pH can enhance or reduce solubility based on the nature of the amino and carbonyl groups present in the structure.
Temperature Influence: Typically, an increase in temperature can enhance solubility for many compounds; however, the specific response can vary significantly based on molecular interactions.

In summary, while the compound demonstrates potential solubility in water and possibly certain organic solvents, the overall solubility profile will depend on factors such as the solvent type, temperature, and pH. These interactions are crucial for the compound's application in various fields, especially in pharmaceuticals and biochemistry.

Interesting facts

Interesting Facts About Ethyl 4-[[2-[(4-Fluorophenyl)methyl]-6-methyl-5-[(5-Methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pentanoate

This complex compound is an exciting example of modern medicinal chemistry, showcasing the intricate relationships between structure and function in drug development. Below are some intriguing facts about this chemical:

Target Identification: The design of ethyl 4-[[2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pentanoate is likely aimed at targeting specific biological pathways, particularly those involved in complex diseases like cancer or inflammation.
Multi-Functional Groups: This compound is characterized by having multiple functional groups, including an isoxazole moiety, a fluorophenyl group, and amide linkages. These diverse chemical features can enhance its biological activity and selectivity.
Fluorine Impact: The presence of fluorine not only impacts the compound's electronic properties but also plays a crucial role in increasing metabolic stability and potentially improving its binding affinity to biological targets.
Structural Complexity: With a molecular structure that incorporates various rings and chains, this compound exemplifies how structural diversity is essential for developing novel therapeutics.
Research Applications: Its unique structure presents opportunities for a wide range of research applications, including:
- Understanding mechanisms of drug action.
- Exploring structure-activity relationships (SAR).
- Developing new analogs for therapeutic use.
Potential Side Effects: Like many complex compounds, its extensive bioactivity may also lead to side effects; thus, thorough pharmacological and toxicological studies are critical in evaluating its safety profile.
In-Silico Studies: Computational chemistry methods are often employed to predict the behavior of molecular interactions for compounds like this one, providing insight into potential efficacy and guiding experimental approaches.

In summary, this compound is not just a chemical entity but a potential avenue for medicinal breakthroughs. The ongoing research in pharmaceutical sciences continues to unveil its mysterious roles and applications in health care.

Synonyms

SCHEMBL4309770

PD042657