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Vemurafenib

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Identification
Molecular formula
C23H27F3N6O3S
CAS number
918504-65-1
IUPAC name
2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methyl-ethanamine
State
State
Vemurafenib is in a solid state at room temperature. It is stable under normal conditions but may decompose if exposed to light or excessive heat for prolonged periods.
Melting point (Celsius)
328.00
Melting point (Kelvin)
601.15
Boiling point (Celsius)
760.00
Boiling point (Kelvin)
1 033.15
General information
Molecular weight
489.93g/mol
Molar mass
489.9290g/mol
Density
1.3720g/cm3
Appearence

Vemurafenib is typically found as a white to off-white colored crystalline powder. It is quite fine in texture and uniform in appearance.

Comment on solubility

Solubility of 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methyl-ethanamine

The solubility of this compound, with the formula C23H27F3N6O3S, can be influenced by a variety of factors. Here are some key points to consider:

  • Solvation Environment: The solubility may vary significantly in different solvents, such as water, ethanol, or organic solvents, due to varying interactions.
  • Hydrophobic and Hydrophilic Regions: The presence of methoxy groups in the structure can make the compound more soluble in organic solvents while potentially limiting solubility in polar solvents like water.
  • pH Influences: The solubility can also be affected by the pH of the solution. For example, ionizable functional groups could enhance solubility in acidic or basic conditions.
  • Temperature Dependence: Generally, solubility tends to increase with temperature in most cases, which is an important factor to take into account during experimental procedures.

In conclusion, while the chemical structure hints at moderate solubility characteristics, experimental determination of solubility is crucial to understand the full implications of its solubility in various environments. Therefore, comprehensive testing in different solvents and conditions is essential to capture the complete behavior of this complex molecule.

Interesting facts

Interesting Facts about 2-[4-Methoxy-3-[[2-Methoxy-3-[[2-Methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methyl-ethanamine

This compound, often referred to in the scientific community for its complex structure and potential applications, demonstrates the intricate nature of organic chemistry. Here are some notable facts:

  • Complex Structure: The molecular architecture includes multiple methoxy groups and an N-methyl-ethanamine moiety, contributing to its interesting reactivity and interaction patterns.
  • Potential Applications: Compounds with such complex structures can often serve as precursors for pharmaceuticals or as building blocks in the synthesis of larger, more intricate molecules.
  • Research Significance: It piques the interest of researchers due to its possible roles in medicinal chemistry, especially in developing agents targeting specific biological pathways.
  • Intermolecular Interactions: The presence of multiple functional groups allows for hydrogen bonding and other intermolecular interactions that may facilitate unique solutions in chemical synthesis and drug formulation.
  • Structure-Activity Relationship (SAR): Understanding the relationship between its structure and biological activity can lead to significant advancements in tailoring compounds for specific therapeutic effects.

In summary, the exploration of this compound reflects the dynamism of organic chemistry, where every fragment of its structure may unveil new insights. As aspiring chemists and seasoned scientists alike analyze such compounds, they often quote:

“The beauty of chemistry lies in its ability to create endless possibilities from the smallest building blocks.”

By studying compounds like this one, we can expand our knowledge and utilize these insights in practical, innovative ways within the field.

Synonyms
compound 48/80
94724-12-6
Compound 48/80 (trimer)
Compound 48/80 trihydrochloride
2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine
1-(2-Methylaminoethyl)-4-methoxy-3,5-bis((2-methoxy-5-(2-methylaminoethyl)phenyl)methyl)benzene
1-(2-Methylaminoethyl)-4-methoxy-3,5-bis[[2-methoxy-5-(2-methylaminoethyl)phenyl]methyl]benzene
6IB
GTPL5531
SCHEMBL14270291
DTXSID60915348
AKOS040758486
HY-115768A
DA-62450
HY-115768
CS-0255613
CS-1049097
H27814
Q27076663
2-[4-methoxy-3,5-bis[[2-methoxy-5-(2-methylaminoethyl)phenyl]methyl]phenyl]-N-methylethanamine
4-Methoxy-3,5-bis[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-N-methylbenzeneethanamine