Cas no 1095539-84-6 (6-Bromo-1,3-dimethyl-1H-indazole)

6-Bromo-1,3-dimethyl-1H-indazole structure
1095539-84-6 structure
Product Name:6-Bromo-1,3-dimethyl-1H-indazole
CAS No:1095539-84-6
MF:C9H9BrN2
MW:225.085160970688
MDL:MFCD12028626
CID:1188053
PubChem ID:44119459
Update Time:2025-07-18

6-Bromo-1,3-dimethyl-1H-indazole Chemical and Physical Properties

Names and Identifiers

    • 6-bromo-1,3-dimethylindazole
    • 6-Bromo-1,3-dimethyl-1H-indazole
    • PB20692
    • CTK5I8224
    • AG-C-08078
    • SureCN2144982
    • OR40130
    • AK165405
    • 6-Bromo-1,3-dimethyl-indazole
    • YBDYCDWCUXKYBT-UHFFFAOYSA-N
    • 6-BroMo-1,3-diMethyl-1H-i...
    • 1h-indazole,6-bromo-1,3-dimethyl-
    • FCH1409528
    • SY097665
    • ST1100672
    • DA-36540
    • VTB53984
    • A895010
    • 1095539-84-6
    • CS-0050320
    • MFCD12028626
    • AKOS023399844
    • SCHEMBL2144982
    • DS-8964
    • MDL: MFCD12028626
    • Inchi: 1S/C9H9BrN2/c1-6-8-4-3-7(10)5-9(8)12(2)11-6/h3-5H,1-2H3
    • InChI Key: YBDYCDWCUXKYBT-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2C(C)=NN(C)C=2C=1

Computed Properties

  • Exact Mass: 223.99491g/mol
  • Monoisotopic Mass: 223.99491g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 174
  • 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
  • Topological Polar Surface Area: 17.8
  • XLogP3: 2.7

6-Bromo-1,3-dimethyl-1H-indazole Security Information

6-Bromo-1,3-dimethyl-1H-indazole Pricemore >>

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6-Bromo-1,3-dimethyl-1H-indazole Related Literature

Additional information on 6-Bromo-1,3-dimethyl-1H-indazole

Comprehensive Overview of 6-Bromo-1,3-dimethyl-1H-indazole (CAS No. 1095539-84-6): Properties, Applications, and Research Insights

6-Bromo-1,3-dimethyl-1H-indazole (CAS No. 1095539-84-6) is a brominated indazole derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. As a heterocyclic compound, it serves as a versatile building block in organic synthesis, particularly in the development of small-molecule inhibitors and biologically active compounds. The presence of both bromine and dimethyl groups at specific positions enhances its reactivity, making it a valuable intermediate for medicinal chemistry applications.

Recent studies highlight the growing demand for 6-Bromo-1,3-dimethyl-1H-indazole in drug discovery programs, especially for targeting kinase pathways and GPCRs (G-protein-coupled receptors). Researchers are exploring its potential in designing anticancer agents and anti-inflammatory drugs, aligning with the current focus on precision medicine. Its CAS No. 1095539-84-6 is frequently cited in patent literature, underscoring its industrial relevance.

From a synthetic perspective, 6-Bromo-1,3-dimethyl-1H-indazole exhibits excellent stability under standard laboratory conditions, facilitating its use in cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig animations. These reactions are pivotal for constructing complex pharmacophores, a topic widely searched in AI-driven chemistry platforms. The compound’s molecular weight (239.11 g/mol) and lipophilicity (LogP ~2.5) further optimize its drug-likeness, a key parameter in ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) studies.

Environmental and regulatory trends also influence the discourse around 6-Bromo-1,3-dimethyl-1H-indazole. With increasing emphasis on green chemistry, researchers are investigating solvent-free synthetic routes and catalytic methods to minimize waste. This aligns with searches for “sustainable indazole derivatives” and “eco-friendly bromination techniques” in scientific databases.

In analytical chemistry, 6-Bromo-1,3-dimethyl-1H-indazole is characterized by techniques like HPLC, NMR, and mass spectrometry. Its distinct 1H-NMR peaks (δ 7.5–8.0 ppm for aromatic protons) and UV-Vis absorptionmax ~290 nm) are critical for quality control, a topic frequently queried in laboratory forums.

Future prospects for CAS No. 1095539-84-6 include explorations in covalent drug design and PROTACs (Proteolysis-Targeting Chimeras), two trending areas in biopharmaceutical innovation. As the scientific community prioritizes AI-augmented molecular modeling, this compound’s role in virtual screening workflows is expected to expand.

In summary, 6-Bromo-1,3-dimethyl-1H-indazole exemplifies the intersection of structural diversity and therapeutic potential. Its applications span from bench-scale synthesis to high-throughput screening, addressing contemporary challenges in life sciences and material engineering.

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