Cas no 39232-86-5 (1H-INDOLE-3-ETHANOL,7-METHOXY-)

1H-INDOLE-3-ETHANOL,7-METHOXY- structure
39232-86-5 structure
Product Name:1H-INDOLE-3-ETHANOL,7-METHOXY-
CAS No:39232-86-5
MF:C11H13NO2
MW:191.226423025131
MDL:MFCD11617208
CID:1006440
PubChem ID:15572673
Update Time:2025-04-23

1H-INDOLE-3-ETHANOL,7-METHOXY- Chemical and Physical Properties

Names and Identifiers

    • 1H-INDOLE-3-ETHANOL,7-METHOXY-
    • 2-(7-Methoxy-1H-indol-3-yl)ethan-1-ol
    • 39232-86-5
    • PDSP2_001800
    • 2-(7-methoxy-1H-indol-3-yl)ethanol
    • PDSP1_001817
    • 7-Methoxy-1H-indole-3-ethanol
    • AKOS006316096
    • DTXSID401308124
    • 7-methoxytryptophol
    • MDL: MFCD11617208
    • Inchi: 1S/C11H13NO2/c1-14-10-4-2-3-9-8(5-6-13)7-12-11(9)10/h2-4,7,12-13H,5-6H2,1H3
    • InChI Key: POTDANHMWGOCJG-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC=CC2=C1NC=C2CCO

Computed Properties

  • Exact Mass: 191.09469
  • Monoisotopic Mass: 191.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 186
  • 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: 1.6
  • Topological Polar Surface Area: 45.2?2

Experimental Properties

  • PSA: 45.25

1H-INDOLE-3-ETHANOL,7-METHOXY- Pricemore >>

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Additional information on 1H-INDOLE-3-ETHANOL,7-METHOXY-

Chemical Profile of 1H-INDOLE-3-ETHANOL,7-METHOXY- (CAS No. 39232-86-5)

1H-INDOLE-3-ETHANOL,7-METHOXY-, identified by its Chemical Abstracts Service (CAS) number 39232-86-5, is a significant compound in the realm of pharmaceutical chemistry and bioorganic synthesis. This heterocyclic alcohol, characterized by a methoxy group at the 7-position and a hydroxyl group at the 3-position of the indole core, has garnered attention due to its structural versatility and potential biological activities. The indole scaffold, a fused benzene-pyrrole system, is well-documented for its role in various pharmacological applications, making derivatives like 1H-INDOLE-3-ETHANOL,7-METHOXY- particularly intriguing for medicinal chemists.

The compound’s molecular structure imparts unique electronic and steric properties that can be exploited in drug design. The presence of both hydroxyl and methoxy functional groups allows for diverse chemical modifications, enabling the synthesis of more complex derivatives with tailored biological profiles. In recent years, there has been a surge in research focusing on indole derivatives as potential therapeutic agents, owing to their ability to interact with numerous biological targets.

One of the most compelling aspects of 1H-INDOLE-3-ETHANOL,7-METHOXY- is its potential as a precursor in the synthesis of biologically active molecules. For instance, researchers have explored its utility in generating analogs with antimicrobial, anti-inflammatory, and even anticancer properties. The hydroxyl group at the 3-position can be readily modified through etherification or esterification reactions, while the methoxy group at the 7-position can serve as a handle for further functionalization via nucleophilic aromatic substitution or metal-catalyzed cross-coupling reactions.

Recent advancements in computational chemistry have further enhanced the understanding of 1H-INDOLE-3-ETHANOL,7-METHOXY-'s reactivity and interaction patterns. Molecular modeling studies have revealed that this compound can bind to specific protein targets with high affinity, suggesting its suitability as a lead compound in drug discovery programs. Such studies often involve virtual screening of large compound libraries to identify potential hits that can be optimized further.

In the context of medicinal chemistry, the synthesis of 1H-INDOLE-3-ETHANOL,7-METHOXY-' has been refined through various methodologies. Traditional approaches include multi-step organic synthesis involving cyclization reactions and functional group interconversions. However, modern techniques such as flow chemistry have emerged as powerful tools for improving yield and scalability in the production of complex indole derivatives. These methods not only enhance efficiency but also reduce waste generation, aligning with green chemistry principles.

The pharmacological significance of 1H-INDOLE-3-ETHANOL,7-METHOXY-' has been underscored by several preclinical studies. Researchers have demonstrated its ability to modulate signaling pathways associated with various diseases. For example, studies suggest that derivatives of this compound may exhibit inhibitory effects on enzymes involved in inflammation or cancer progression. While these findings are promising, further investigation is required to fully elucidate their therapeutic potential and safety profiles.

One particularly noteworthy application lies in the development of probes for biochemical assays. The unique structural features of 1H-INDOLE-3-ETHANOL,7-METHOXY-' make it an excellent candidate for designing molecules that can interact selectively with specific biomolecules. Such probes are invaluable tools in drug discovery pipelines, allowing researchers to identify key targets and assess their function within cellular systems.

The role of 1H-INDOLE-3-ETHANOL,7-METHOXY-' in material science is also emerging as an area of interest. Its ability to form stable complexes with metals has led to investigations into its use as a ligand in catalytic systems. These complexes can be employed in various transformations, including hydrogenation and oxidation reactions, which are crucial in industrial chemical processes.

As our understanding of chemical biology evolves, so does the demand for sophisticated tools like 1H-INDOLE-3-ETHANOL,7-METHOXY-'. The integration of machine learning algorithms into drug discovery has revolutionized how compounds are designed and evaluated. By leveraging these computational tools, researchers can predict the properties of 1H-INDOLE-3 ETHANOXIDE, 7-methoxy-, helping to accelerate the development of novel therapeutics.

The environmental impact of synthesizing complex molecules like 1H INDOLE 3 ETHANOXIDE, 7-methoxy-, is another critical consideration. Sustainable practices are being adopted across pharmaceutical industries to minimize ecological footprints while maintaining high standards of quality and efficacy. Techniques such as biocatalysis and solvent-free reactions are being explored to reduce reliance on hazardous reagents.

In conclusion,1H INDOLE 3 ETHANOXIDE, 7-methoxy-, represented by CAS No. 39232 86 5, stands out as a versatile and multifaceted compound with broad applications across pharmaceuticals and materials science. Its unique structural attributes offer opportunities for innovative research that could lead to breakthroughs in drug development and industrial chemistry alike.

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