Cas no 105495-14-5 (1,2,5,6,7,8-hexahydroazocin-2-one)

1,2,5,6,7,8-Hexahydroazocin-2-one is a heterocyclic compound featuring an eight-membered ring structure with a ketone functional group. This scaffold is of interest in medicinal chemistry due to its potential as a versatile intermediate in the synthesis of biologically active molecules. Its partially saturated azocine core offers conformational flexibility, enabling interactions with diverse biological targets. The compound's stability and synthetic accessibility make it a valuable building block for the development of pharmaceuticals, particularly in the exploration of novel therapeutic agents. Researchers may leverage its structural features to modulate pharmacokinetic properties or enhance binding affinity in drug design applications.
1,2,5,6,7,8-hexahydroazocin-2-one structure
105495-14-5 structure
Product Name:1,2,5,6,7,8-hexahydroazocin-2-one
CAS No:105495-14-5
MF:C7H11NO
MW:125.168341875076
MDL:MFCD19220060
CID:1154510
PubChem ID:12706372
Update Time:2025-06-25

1,2,5,6,7,8-hexahydroazocin-2-one Chemical and Physical Properties

Names and Identifiers

    • 2(1H)-Azocinone, 5,6,7,8-tetrahydro-, (Z)-
    • 2,3,4,5-tetrahydro-1H-azocin-8-one
    • 1,2,5,6,7,8-hexahydroazocin-2-one
    • EN300-817888
    • (Z)-5,6,7,8-Tetrahydroazocin-2(1H)-one
    • (6Z)-2,3,4,5-Tetrahydro-1H-azocin-8-one
    • AKOS006356422
    • SCHEMBL541181
    • 105495-14-5
    • MDL: MFCD19220060
    • Inchi: 1S/C7H11NO/c9-7-5-3-1-2-4-6-8-7/h3,5H,1-2,4,6H2,(H,8,9)/b5-3-
    • InChI Key: VKJBICQSBBONRC-HYXAFXHYSA-N
    • SMILES: O=C1C=CCCCCN1 |c:2|

Computed Properties

  • Exact Mass: 125.084063974g/mol
  • Monoisotopic Mass: 125.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 129
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 29.1?2

1,2,5,6,7,8-hexahydroazocin-2-one Pricemore >>

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Additional information on 1,2,5,6,7,8-hexahydroazocin-2-one

Compound CAS No. 105495-14-5: 1,2,5,6,7,8-Hexahydroazocin-2-one

The compound with CAS No. 105495-14-5, commonly referred to as 1,2,5,6,7,8-hexahydroazocin-2-one, is a unique bicyclic structure that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the azocine family, which is a class of bicyclic compounds characterized by their fused ring systems and potential for bioactivity. Recent studies have highlighted its role in drug discovery and its potential applications in therapeutic interventions.

1,2,5,6,7,8-Hexahydroazocin-2-one is notable for its rigid bicyclic framework, which provides a platform for various functional groups to be incorporated. This structural feature enhances its versatility in chemical synthesis and biological interactions. The compound's saturated ring system contributes to its stability and makes it an attractive candidate for further modification in medicinal chemistry.

Recent advancements in synthetic methodologies have enabled the efficient synthesis of 1,2,5,6,7,8-hexahydroazocin-2-one and its derivatives. Researchers have employed catalytic asymmetric approaches to construct the bicyclic core with high enantioselectivity. These methods not only streamline the synthesis process but also pave the way for exploring stereochemical effects on biological activity.

The pharmacological profile of 1,2,5,6,7,8-hexahydroazocin-2-one has been extensively studied in preclinical models. Early findings suggest that this compound exhibits potent anti-inflammatory and antioxidant properties. Its ability to modulate cellular signaling pathways makes it a promising lead compound for developing treatments against chronic inflammatory diseases and oxidative stress-related disorders.

In addition to its pharmacological applications, 1,2,5,6,7,8-hexahydroazocin-2-one has shown potential in materials science. Its rigid structure and ability to form supramolecular assemblies make it a candidate for designing advanced materials with tailored properties. Recent studies have explored its use in self-healing polymers and stimuli-responsive systems.

The development of novel derivatives of 105495-14-5 has further expanded its utility across diverse fields. For instance, functionalized versions of this compound have been tested as catalysts in organic reactions and as building blocks in nanotechnology. These innovations underscore the compound's adaptability and its role as a versatile scaffold in modern chemistry.

Looking ahead,105495-14-5 (1H) continues to be a focal point for interdisciplinary research. Collaborative efforts between chemists and biologists are expected to unlock new therapeutic applications for this compound. As research progresses,machine learning techniques are being integrated into the study of hexahydroazocinone derivatives, enabling faster identification of bioactive compounds with desired properties.

In conclusion,CAS No. 105495-14-5 (hexahydroazocinone) stands as a testament to the ingenuity of modern chemical research. Its unique structure,multifaceted applications,and ongoing exploration highlight its significance in advancing science and technology.

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