Cas no 898766-09-1 (8-Oxo-8-(9-phenanthryl)octanoic acid)

8-Oxo-8-(9-phenanthryl)octanoic acid is a specialized organic compound featuring a phenanthrene moiety linked to an octanoic acid chain via a ketone group. This structure imparts unique physicochemical properties, making it valuable in synthetic chemistry and material science applications. The aromatic phenanthrene group enhances stability and facilitates π-π interactions, while the carboxylate terminus allows for further functionalization or conjugation. Its intermediate-length aliphatic chain balances solubility and reactivity, making it suitable for use in supramolecular chemistry, ligand design, or as a building block for advanced materials. The compound’s well-defined structure ensures reproducibility in research applications, particularly where controlled molecular assembly or precise derivatization is required.
8-Oxo-8-(9-phenanthryl)octanoic acid structure
898766-09-1 structure
Product Name:8-Oxo-8-(9-phenanthryl)octanoic acid
CAS No:898766-09-1
MF:C22H22O3
MW:334.408286571503
CID:875131
Update Time:2025-10-29

8-Oxo-8-(9-phenanthryl)octanoic acid Chemical and Physical Properties

Names and Identifiers

    • 8-oxo-8-phenanthren-9-yloctanoic acid
    • 8-OXO-8-(9-PHENANTHRYL)OCTANOIC ACID
    • 8-Oxo-8-(9-phenanthryl)octanoic acid
    • Inchi: 1S/C22H22O3/c23-21(13-3-1-2-4-14-22(24)25)20-15-16-9-5-6-10-17(16)18-11-7-8-12-19(18)20/h5-12,15H,1-4,13-14H2,(H,24,25)
    • InChI Key: BTSJHSKAAUBSBW-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C2C=CC=CC2=C2C=CC=CC=12)CCCCCCC(=O)O

Computed Properties

  • Exact Mass: 334.15700
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 8

Experimental Properties

  • PSA: 54.37000
  • LogP: 5.60090

8-Oxo-8-(9-phenanthryl)octanoic acid Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

8-Oxo-8-(9-phenanthryl)octanoic acid Pricemore >>

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Additional information on 8-Oxo-8-(9-phenanthryl)octanoic acid

Introduction to 8-Oxo-8-(9-phenanthryl)octanoic acid (CAS No. 898766-09-1) and Its Emerging Applications in Chemical Biology

8-Oxo-8-(9-phenanthryl)octanoic acid, identified by the chemical identifier CAS No. 898766-09-1, is a sophisticated organic compound that has garnered significant attention in the field of chemical biology due to its unique structural and functional properties. This compound, featuring a phenanthryl moiety linked to an octanoic acid backbone, exhibits intriguing biochemical characteristics that make it a promising candidate for various research applications. The molecular structure of 8-Oxo-8-(9-phenanthryl)octanoic acid not only contributes to its distinct chemical behavior but also opens up possibilities for its utilization in drug discovery, material science, and other interdisciplinary domains.

The phenanthryl group in 8-Oxo-8-(9-phenanthryl)octanoic acid is a key structural feature that imparts specific electronic and steric properties to the molecule. Phenanthryl derivatives are well-known for their ability to interact with biological targets due to their aromaticity and planarity, which facilitate binding to proteins and enzymes. In recent years, there has been a surge in research focusing on the development of phenanthryl-based compounds as pharmacophores, owing to their potential in modulating biological pathways. The incorporation of the octanoic acid moiety further enhances the compound's solubility and bioavailability, making it more suitable for in vivo studies.

One of the most compelling aspects of 8-Oxo-8-(9-phenanthryl)octanoic acid is its potential application in the development of novel therapeutic agents. The compound's ability to interact with biological macromolecules has led researchers to explore its role in inhibiting key enzymes involved in metabolic disorders, cancer, and inflammation. For instance, studies have suggested that derivatives of 8-Oxo-8-(9-phenanthryl)octanoic acid may exhibit inhibitory effects on enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are pivotal in mediating inflammatory responses. These findings have sparked interest in leveraging this compound as a lead molecule for drug design.

Moreover, the structural versatility of 8-Oxo-8-(9-phenanthryl)octanoic acid has opened up avenues for its use in material science applications. The compound's aromatic core and flexible octanoic acid side chain make it an excellent candidate for designing functional materials with tailored properties. Researchers have been exploring its potential as a building block for organic semiconductors, luminescent materials, and polymer additives. The ability of 8-Oxo-8-(9-phenanthryl)octanoic acid to self-assemble into ordered structures has also been investigated, paving the way for applications in nanotechnology and supramolecular chemistry.

In the realm of chemical biology, 8-Oxo-8-(9-phenanthryl)octanoic acid has been utilized as a tool compound for studying protein-ligand interactions. The phenanthryl group serves as a recognition element that can be engineered to target specific binding sites on proteins. This has enabled researchers to develop high-affinity probes for biomarker detection and to dissect complex signaling pathways. The compound's fluorescence properties have also been harnessed for imaging applications, allowing for real-time visualization of biological processes at the cellular level.

The synthesis of 8-Oxo-8-(9-phenanthryl)octanoic acid presents an intriguing challenge due to its complex structure. However, advances in synthetic methodologies have made it more accessible than ever before. Modern techniques such as palladium-catalyzed cross-coupling reactions and directed ortho-metalation strategies have enabled chemists to construct the phenanthryl core with high precision. These synthetic advancements have not only facilitated the production of pure samples of 8-Oxo-8-(9-phenanthryl)octanoic acid but also allowed for the introduction of diverse functional groups, enhancing its utility in various applications.

Recent studies have highlighted the potential of 8-Oxo-8-(9-phenanthryl)octanoic acid in modulating cellular processes through its interaction with nuclear receptors. Nuclear receptors are transcription factors that play a crucial role in regulating gene expression in response to environmental signals. By binding to these receptors, 8-Oxo-8-(9-phenanthryl)octanoic acid can influence pathways involved in lipid metabolism, inflammation, and cancer progression. This has led to investigations into its potential as an agonist or antagonist for nuclear receptor targets, opening up new therapeutic possibilities.

The pharmacokinetic properties of 8-Oxo-8-(9-phenanthryl)octanoic acid are another area of active research. Understanding how this compound is absorbed, distributed, metabolized, and excreted (ADME) is essential for optimizing its therapeutic efficacy and safety profile. Preclinical studies have begun to unravel these aspects, providing valuable insights into dosing regimens and potential side effects. These studies are critical for translating laboratory findings into clinical applications and ensuring that 8-Oxo-8-(9-phenanthlyloctanoic acid) can be developed into a viable drug candidate.

In conclusion, ightened by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by its unique structural features, ighlighted by Its emerging applications underscore why it is considered a significant compound in modern chemical biology research.

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