Cas no 898758-90-2 (cycloheptyl-oxazol-2-yl-methanone)

Cycloheptyl-oxazol-2-yl-methanone is a heterocyclic ketone featuring a cycloheptyl group attached to an oxazole ring via a carbonyl linkage. This compound is of interest in synthetic organic chemistry due to its versatile reactivity, serving as a key intermediate in the preparation of more complex heterocyclic frameworks. The oxazole moiety contributes to its potential utility in pharmaceutical and agrochemical research, where such structures are often explored for bioactive properties. The cycloheptyl group enhances lipophilicity, which may influence solubility and binding characteristics in target applications. Its well-defined structure allows for precise modifications, making it a valuable building block in medicinal chemistry and material science.
cycloheptyl-oxazol-2-yl-methanone structure
898758-90-2 structure
Product Name:cycloheptyl-oxazol-2-yl-methanone
CAS No:898758-90-2
MF:C11H15NO2
MW:193.242303133011
MDL:MFCD07699312
CID:1945259
PubChem ID:24723609
Update Time:2025-06-09

cycloheptyl-oxazol-2-yl-methanone Chemical and Physical Properties

Names and Identifiers

    • 2-CYCLOHEPTANOYLOXAZOLE
    • cycloheptyl-oxazol-2-yl-methanone
    • LogP
    • cycloheptyl(1,3-oxazol-2-yl)methanone
    • 898758-90-2
    • DTXSID20642047
    • AKOS006286108
    • MFCD07699312
    • MDL: MFCD07699312
    • Inchi: 1S/C11H15NO2/c13-10(11-12-7-8-14-11)9-5-3-1-2-4-6-9/h7-9H,1-6H2
    • InChI Key: XYOQPINQSPWGMM-UHFFFAOYSA-N
    • SMILES: O=C(C1=NC=CO1)C1CCCCCC1

Computed Properties

  • Exact Mass: 193.11000
  • Monoisotopic Mass: 193.110278721Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 197
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • PSA: 43.10000
  • LogP: 2.82770

cycloheptyl-oxazol-2-yl-methanone Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on cycloheptyl-oxazol-2-yl-methanone

Cycloheptyl-oxazol-2-yl-methanone (CAS No. 898758-90-2): An Overview of a Promising Compound in Medicinal Chemistry

Cycloheptyl-oxazol-2-yl-methanone (CAS No. 898758-90-2) is a synthetic compound that has garnered significant attention in the field of medicinal chemistry due to its unique structural properties and potential therapeutic applications. This compound, characterized by its cycloheptyl and oxazolyl moieties, exhibits a range of biological activities that make it a valuable candidate for further research and development.

The cycloheptyl ring, a seven-membered cyclic structure, is known for its conformational flexibility and ability to adopt various stable conformations. This property can influence the compound's interactions with biological targets, potentially enhancing its binding affinity and selectivity. The oxazolyl moiety, on the other hand, is a five-membered heterocyclic ring containing one oxygen and one nitrogen atom. Oxazoles are well-known for their ability to form hydrogen bonds and participate in π-stacking interactions, which can be crucial for modulating protein-ligand interactions.

Recent studies have highlighted the potential of cycloheptyl-oxazol-2-yl-methanone in various therapeutic areas. One notable application is in the treatment of neurodegenerative diseases. Research has shown that this compound can modulate the activity of specific enzymes involved in the pathogenesis of conditions such as Alzheimer's disease and Parkinson's disease. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that cycloheptyl-oxazol-2-yl-methanone effectively inhibits the activity of β-secretase (BACE1), an enzyme responsible for the production of amyloid-beta peptides, which are key contributors to Alzheimer's pathology.

In addition to its neuroprotective properties, cycloheptyl-oxazol-2-yl-methanone has also shown promise in cancer research. Preclinical studies have indicated that this compound can selectively target and inhibit the growth of cancer cells while sparing normal cells. One mechanism by which it achieves this is through the modulation of signaling pathways involved in cell proliferation and apoptosis. For example, a study published in Cancer Research found that cycloheptyl-oxazol-2-yl-methanone can inhibit the activation of the PI3K/Akt pathway, a critical pathway implicated in the survival and growth of various cancer types.

The pharmacokinetic properties of cycloheptyl-oxazol-2-yl-methanone have also been extensively studied. Research has shown that this compound exhibits favorable absorption, distribution, metabolism, and excretion (ADME) properties, making it suitable for further development as a therapeutic agent. Its oral bioavailability is high, and it demonstrates good stability in plasma and tissues. These characteristics are essential for ensuring that the compound reaches its intended target sites at effective concentrations.

To further enhance its therapeutic potential, researchers are exploring various modifications to the structure of cycloheptyl-oxazol-2-yl-methanone. For instance, substituents on the cycloheptyl ring or modifications to the oxazolyl moiety can be used to fine-tune the compound's pharmacological profile. These structural modifications can improve potency, selectivity, and pharmacokinetic properties, thereby enhancing its overall therapeutic index.

Clinical trials are currently underway to evaluate the safety and efficacy of cycloheptyl-oxazol-2-yl-methanone in human subjects. Early results from Phase I trials have shown that the compound is well-tolerated at therapeutic doses and exhibits a favorable safety profile. These findings provide a strong foundation for advancing to Phase II trials, where the compound's efficacy will be more rigorously assessed.

In conclusion, cycloheptyl-oxazol-2-yl-methanone (CAS No. 898758-90-2) represents a promising compound with diverse therapeutic applications. Its unique structural features and biological activities make it an attractive candidate for further research and development in areas such as neurodegenerative diseases and cancer. As ongoing studies continue to uncover new insights into its mechanisms of action and potential clinical benefits, this compound holds significant promise for improving patient outcomes and advancing medical science.

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