Cas no 78405-33-1 (9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy-)

1,7-Dihydroxy-2,3-dimethoxy-9H-xanthen-9-one is a substituted xanthenone derivative characterized by its hydroxyl and methoxy functional groups at positions 1, 7, 2, and 3. This compound exhibits notable stability due to its aromatic xanthene core, making it suitable for applications in organic synthesis and material science. The presence of electron-donating hydroxyl and methoxy groups enhances its potential as an intermediate in the development of fluorescent dyes, pharmaceuticals, or photoactive materials. Its structural features also suggest utility in chelation or as a scaffold for further functionalization. The compound’s purity and defined substitution pattern ensure reproducibility in research and industrial processes.
9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy- structure
78405-33-1 structure
Product Name:9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy-
CAS No:78405-33-1
MF:C15H12O6
MW:288.252184867859
CID:534557
PubChem ID:10039726
Update Time:2025-05-26

9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy-
    • 1,7-dihydroxy-2,3-dimethoxyxanthen-9-one
    • 1,7-Dihydroxy-2,3-dimethoxyxanthone
    • AKOS030562649
    • HY-N9269
    • DTXSID60434640
    • CS-0159143
    • 1,7-DIHYDROXY-2,3-DIMETHOXY-9H-XANTHEN-9-ONE
    • 78405-33-1
    • DA-69416
    • Inchi: 1S/C15H12O6/c1-19-11-6-10-12(14(18)15(11)20-2)13(17)8-5-7(16)3-4-9(8)21-10/h3-6,16,18H,1-2H3
    • InChI Key: BLXIZCDWQXDWQF-UHFFFAOYSA-N
    • SMILES: O1C2C=CC(=CC=2C(C2C(=C(C(=CC1=2)OC)OC)O)=O)O

Computed Properties

  • Exact Mass: 288.06338810g/mol
  • Monoisotopic Mass: 288.06338810g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 400
  • 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: 2.7
  • Topological Polar Surface Area: 85.2?2

Experimental Properties

  • Color/Form: Yellow powder
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 546.3±50.0 °C at 760 mmHg
  • Flash Point: 210.7±23.6 °C
  • Vapor Pressure: 0.0±1.5 mmHg at 25°C

9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy- Security Information

9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy- Pricemore >>

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Additional information on 9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy-

Chemical Profile of 9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy- (CAS No. 78405-33-1) and Its Emerging Applications in Modern Research

The compound 9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy-, identified by its CAS number 78405-33-1, represents a structurally intriguing heterocyclic molecule with significant potential in pharmaceutical and biochemical research. This xanthone derivative, characterized by its hydroxyl and methoxy substituents, has garnered attention due to its unique chemical properties and promising biological activities. The molecular framework of this compound encompasses a xanthene core, which is a well-studied scaffold in medicinal chemistry, known for its versatility in drug design.

In recent years, the exploration of xanthone derivatives has expanded considerably, driven by their demonstrated efficacy in various biological assays. The presence of multiple hydroxyl groups at the 1 and 7 positions, along with methoxy groups at the 2 and 3 positions, contributes to the compound's solubility and reactivity, making it a valuable candidate for further chemical manipulation and functionalization. These structural features not only enhance its interactions with biological targets but also facilitate its incorporation into complex synthetic pathways.

One of the most compelling aspects of 9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy- is its potential as an intermediate in the synthesis of more complex pharmacophores. Researchers have leveraged its scaffold to develop novel molecules with enhanced bioactivity. For instance, modifications of this core structure have led to compounds exhibiting anti-inflammatory, antioxidant, and anticancer properties. The hydroxyl and methoxy groups serve as versatile handles for further derivatization, enabling chemists to tailor the molecule's properties for specific applications.

The biological activity of this compound has been a focal point in recent studies. Preliminary research suggests that it may interfere with key cellular pathways involved in cancer progression. Specifically, its ability to modulate enzyme activity and protein-protein interactions has been investigated in vitro. These findings align with broader trends in oncology research, where natural product derivatives are being repurposed or redesigned to improve therapeutic outcomes. The structural motifs present in 9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy- are reminiscent of other xanthones that have shown promise in clinical trials.

Furthermore, the compound's interaction with biological systems has been explored through computational modeling studies. These simulations have provided insights into how the molecule binds to target proteins and enzymes. Such computational approaches are increasingly integral to drug discovery pipelines, as they allow researchers to predict binding affinities and optimize molecular structures before experimental validation. The results from these models suggest that 9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy- could be a potent inhibitor of certain kinases implicated in tumor growth.

The synthesis of this compound has also been refined over time. Advances in organic chemistry have enabled more efficient and scalable production methods. Techniques such as catalytic hydrogenation and selective oxidation have been employed to introduce the necessary functional groups while maintaining regioselectivity. This progress is crucial for translating laboratory discoveries into viable therapeutic agents. The availability of high-purity 9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy- (CAS No. 78405-33-1) from reputable suppliers ensures that researchers can conduct rigorous experiments without compromising on quality.

In conclusion,9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy- represents a structurally rich and biologically relevant compound with significant potential in pharmaceutical research. Its unique combination of hydroxyl and methoxy substituents makes it an attractive scaffold for drug development. As our understanding of molecular interactions continues to evolve,this xanthone derivative is poised to play a crucial role in advancing therapeutic strategies across multiple disease areas.

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