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Cyclobutylmethylhydracodone

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Identification
Molecular formula
C22H31NO4
CAS number
1345728-05-1
IUPAC name
(4S,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
State
State

At room temperature, the compound is typically found in a solid state. Its crystalline nature makes it stable under standard conditions, maintaining its structure unless significant temperature changes or chemical reactions occur.

Melting point (Celsius)
252.00
Melting point (Kelvin)
525.15
Boiling point (Celsius)
476.00
Boiling point (Kelvin)
749.15
General information
Molecular weight
389.48g/mol
Molar mass
389.4830g/mol
Density
1.3000g/cm3
Appearence

The compound appears as a crystalline solid, which can range from being a white powder to off-white. This typically indicates a high level of purity and can vary slightly depending on the formulation and manufacturing process.

Comment on solubility

Solubility of (4S,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol

The solubility of the complex compound (4S,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol primarily depends on several structural features and environmental conditions.

  • Polarity: The presence of hydroxyl (–OH) functional groups suggests potential for hydrogen bonding, which usually increases solubility in polar solvents such as water.
  • Hydrophobic regions: The cyclobutylmethyl group adds a non-polar characteristic, potentially decreasing solubility in polar solvents but enhancing solubility in non-polar solvents.
  • Size and flexibility: The bulky structure of the molecule might hinder solubility in certain conditions due to steric effects and restricted conformational flexibility.

Overall, one might expect this compound to exhibit moderate solubility in polar solvents while maintaining a different solubility profile in non-polar environments. It is crucial to study specific solvent interactions to determine the most suitable conditions for optimal solubility. This can be concluded as: "Solubility is a dance of structure with its solvent partner!"

Interesting facts

Interesting Facts about (4S,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol

This compound is a fascinating member of the isoquinoline family, which is known for its diverse range of biological activities. Isoquinoline derivatives often display a myriad of potential therapeutic benefits, making them a significant focus in medicinal chemistry.

Biological Significance

Some important aspects include:

  • Pharmacological Potential: Compounds of this nature are studied for their potential use in treating various conditions, ranging from neurodegenerative diseases to cancer.
  • Natural Precursor: Isoquinoline structures can be found in many naturally occurring alkaloids, which are often known for their pharmacological properties.
  • Complex Structure: The presence of multiple stereocenters and a cyclic structure adds to the complexity of this compound, making its synthesis an interesting challenge for organic chemists.

Applications and Research

As researchers delve deeper into the potential applications of this compound, the following areas are particularly promising:

  • Drug Development: Continued exploration may lead to the development of novel therapeutic agents.
  • Bioactivity Studies: Investigations into its interaction with biological systems can reveal mechanisms useful for drug targeting.
  • Synthesis Implications: The synthetic pathways developed to create this compound may offer insights into other complex organic molecules.

In summary, (4S,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol serves as a striking example of how intricate molecular configurations can lead to significant biological outcomes. As ongoing research uncovers more about its properties, this compound could contribute to significant advancements in the pharmaceutical field.