Cas no 1095539-84-6 (6-Bromo-1,3-dimethyl-1H-indazole)
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
- Hazard Statement: H302-H315-H319-H335
- Storage Condition:Sealed in dry,Room Temperature
6-Bromo-1,3-dimethyl-1H-indazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A269001201-5g |
6-Bromo-1,3-dimethyl-1H-indazole |
1095539-84-6 | 95% | 5g |
$984.88 | 2023-09-04 | |
| TRC | B997845-50mg |
6-Bromo-1,3-dimethyl-1H-indazole |
1095539-84-6 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B997845-100mg |
6-Bromo-1,3-dimethyl-1H-indazole |
1095539-84-6 | 100mg |
$ 95.00 | 2022-06-06 | ||
| TRC | B997845-500mg |
6-Bromo-1,3-dimethyl-1H-indazole |
1095539-84-6 | 500mg |
$ 320.00 | 2022-06-06 | ||
| Ambeed | A221074-100mg |
6-Bromo-1,3-dimethyl-1H-indazole |
1095539-84-6 | 97% | 100mg |
$7.0 | 2025-02-24 | |
| Ambeed | A221074-250mg |
6-Bromo-1,3-dimethyl-1H-indazole |
1095539-84-6 | 97% | 250mg |
$16.0 | 2025-02-24 | |
| Ambeed | A221074-1g |
6-Bromo-1,3-dimethyl-1H-indazole |
1095539-84-6 | 97% | 1g |
$61.0 | 2025-02-24 | |
| Ambeed | A221074-5g |
6-Bromo-1,3-dimethyl-1H-indazole |
1095539-84-6 | 97% | 5g |
$304.0 | 2025-02-24 | |
| Chemenu | CM104471-1g |
6-bromo-1,3-dimethyl-1H-indazole |
1095539-84-6 | 95% | 1g |
$215 | 2021-08-06 | |
| Chemenu | CM104471-5g |
6-bromo-1,3-dimethyl-1H-indazole |
1095539-84-6 | 95% | 5g |
$645 | 2021-08-06 |
6-Bromo-1,3-dimethyl-1H-indazole Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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 absorption (λmax ~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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