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Ethynodiol diacetate

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Identification
Molecular formula
C24H32O4
CAS number
297-76-7
IUPAC name
17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
State
State

At room temperature, the compound is typically in a solid state.

Melting point (Celsius)
135.00
Melting point (Kelvin)
408.15
Boiling point (Celsius)
213.00
Boiling point (Kelvin)
486.15
General information
Molecular weight
498.65g/mol
Molar mass
498.6530g/mol
Density
1.1750g/cm3
Appearence

The compound appears as a white to off-white crystalline powder.

Comment on solubility

Solubility of 17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol (C24H32O4)

The solubility of 17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol is influenced by various structural factors inherent to its formulation. Being a complex molecule with multiple rings and functional groups, understanding its solubility behavior is essential.

Factors Influencing Solubility

  • Polarity: The presence of hydroxyl group (-OH) may enhance the compound's polarity, potentially leading to a greater affinity for polar solvents, such as water.
  • Hydrophobic regions: The pentacyclic structure contributes to hydrophobic characteristics, which can reduce solubility in aqueous environments.
  • Solvent choice: Solubility can vary significantly depending on whether nonpolar solvents (e.g., hexane) or polar solvents (e.g., ethanol) are used.

In summary, while the hydroxyl group may facilitate some solubility in polar solvents, the compound's intricate structure likely limits its overall solubility in a general context. As a result, one might find this compound exhibits a moderate solubility profile, necessitating careful consideration of solvent selection for optimal dissolution.

Interesting facts

Interesting Facts about 17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol

This compound, with its complex structure and intriguing name, opens the door to various fields of study and application. Here are some captivating aspects to consider:

  • Structural Complexity: The compound features a remarkable pentacyclic structure which is rare in organic chemistry. Such complexity is often associated with significant biological activity.
  • Potential Applications: Due to its unique structural characteristics, this compound may have potential applications in medicinal chemistry, particularly in the design of new pharmaceuticals. It can be a candidate for drug development targeting specific biological pathways.
  • Biological Relevance: The presence of the oxa (oxygen-containing) and azapentacyclo (nitrogen-containing) rings suggests possible roles in mimicking natural compounds or functioning as enzyme inhibitors.
  • Ethynyl Group: The ethynyl substitution can impart unique reactivity and solvability features. This makes it a valuable moiety in synthetic organic chemistry, allowing for further derivatization.
  • Pioneering Research: Compounds like this one encourage ongoing research in the realm of complex organic compounds. Chemists are continuously exploring new structures to expand our understanding of chemical behavior and reactivity.

As an example of modern synthetic capabilities, this compound reflects trends in chemical synthesis, where the focus is on designing molecules with enhanced efficacy and reduced side effects for use in modern therapeutics. Its study might yield significant insights into not only organic chemistry but also biochemistry and pharmacology.

In Summary

Overall, 17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol represents an exciting frontier in chemical science that showcases the interplay between structure and function in creating innovative solutions for health and technology.

Synonyms
MLS003115428
Danatrol
WIN 17757
1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol
NSC 270916
Oprea1_249465
SCHEMBL5021653
CHEMBL4296981
CHEBI:91575
DTXSID80860200
HMS3266J13
LSM-1379
BBL009933
STK801350
AKOS005612974
KS-1445
SMR001491646
17.alpha.-Pregna-2,3-d]isoxazol-17-ol
DB-085522
Pregna-2,3-d]isoxazol-17-ol, (17.alpha.)-
BRD-A20243730-001-01-4
Q27163410
17-.alpha.-Pregn-4-en-20-yno(2,3-d)isoxazol-17-ol
17-.alpha.-2,4-Pregnadien-20-yno(2,3-d)isoxazol-17-ol
17.alpha.-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol
1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol #
1435516-99-6