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Tolebrutinib

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Identification
Molecular formula
C20H25NO4S
CAS number
1971926-61-8
IUPAC name
N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
State
State
Tolebrutinib is a solid at room temperature, and it is typically handled as a powder in laboratory settings.
Melting point (Celsius)
168.00
Melting point (Kelvin)
441.15
Boiling point (Celsius)
536.80
Boiling point (Kelvin)
809.95
General information
Molecular weight
401.48g/mol
Molar mass
401.4800g/mol
Density
1.2340g/cm3
Appearence

The compound generally appears as a crystalline solid. Its color can vary from off-white to pale brown depending on the level of purity and specific form.

Comment on solubility

Solubility of N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine

N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine, with the chemical formula C20H25NO4S, presents an intriguing profile of solubility characteristics.

Overall Solubility

This compound exhibits a mixture of hydrophilic and hydrophobic properties, which impacts its solubility:

  • Solvent Interactions: The presence of the phenoxy group tends to enhance solubility in organic solvents, while the amino group may provide limited solubility in water.
  • Polarity: The balance between the benzoxathiin structure and the dimethoxyphenyl group can influence how the molecule interacts in various media.

Factors Influencing Solubility

Several factors contribute to the solubility of this compound, including:

  1. Temperature: Increased temperature generally improves solubility for many organic compounds.
  2. pH of the Solution: As a weakly basic amine, its solubility can vary significantly with changes in the pH level.
  3. Presence of Co-Solvents: Adding co-solvents may enhance solubility in polar or non-polar solutions.

Practical Implications

For practical applications, understanding the solubility of this compound is crucial:

  • In pharmaceutical formulations, its solubility will influence bioavailability.
  • In research settings, solubility affects its effectiveness as a chemical probe or reagent.

While definitive solubility data may vary, grasping the underlying principles provides essential insight into how this compound behaves in different environments. So remember, the solubility characteristics are key to unlocking its potential applications!

Interesting facts

Interesting Facts about N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine

N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine is a fascinating compound that belongs to the class of organic molecules known for their intricate structures and potential biological activities. Here are some intriguing insights:

  • Unique Molecular Structure: This compound features a dihydro-benzoxathiin moiety, which contributes to its distinctive properties. The presence of a sulfur atom in this bicyclic structure adds to its reactivity and interactions with other biological molecules.
  • Potential Biological Activity: Compounds with similar structures have been studied for their pharmacological effects. There is ongoing research into their potential as:
    • Antidepressants
    • Anticancer agents
    • Neuroprotective agents
  • Drug Development: As a part of medicinal chemistry, compounds like this one are often synthesized and modified to enhance their effectiveness. Scientists are keen to explore how variations in the molecular structure can influence biological activity.
  • Multifunctional Groups: The compound contains both amine and ether functional groups, which can play critical roles in binding interactions within biological systems, making it a candidate for tailored drug design.

In conclusion, the chemical properties and potential applications of N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine make it an exciting subject of study for chemists and researchers. As investigations into its biological roles continue, this compound holds the promise of unlocking new pathways in pharmacology and therapeutic interventions.

Synonyms
Benoxathian
92642-94-9
1,4-benzoxathiin-2-methanamine, n-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-
N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
1,4-Benzoxathiin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-
BENZOXATHIAN
2-(((2-(2,6-Dimethoxyphenoxy)ethyl)amino)methyl)-1,4-benzoxathian
Lopac0_000225
CHEMBL191044
BDBM86232
DTXSID10919033
CAS_2325
NSC_2325
CCG-204320
SDCCGSBI-0050213.P002
NCGC00015120-02
NCGC00015120-03
NCGC00015120-05
NCGC00162098-01
Q15634033
N-((2,3-Dihydrobenzo[b][1,4]oxathiin-2-yl)methyl)-2-(2,6-dimethoxyphenoxy)ethanamine
N-[(2,3-Dihydro-1,4-benzoxathiin-2-yl)methyl]-2-(2,6-dimethoxyphenoxy)ethan-1-amine