Cas no 1020243-02-0 (4,5-Dichloro-1H-indazole)
4,5-Dichloro-1H-indazole Chemical and Physical Properties
Names and Identifiers
-
- 1H-indazole, 4,5-dichloro-
- 4,5-Dichloro-1H-indazole
- 4,5-Dichloro-1-H-indazole
- 1020243-02-0
- MFCD12033727
- F18732
- AKOS005536773
- CS-0195044
- VQB24302
- STK666680
- A896964
-
- MDL: MFCD12033727
- Inchi: 1S/C7H4Cl2N2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-3H,(H,10,11)
- InChI Key: QEJQOQVDJFLFJJ-UHFFFAOYSA-N
- SMILES: ClC1=C(C=CC2=C1C=NN2)Cl
Computed Properties
- Exact Mass: 185.97532
- Monoisotopic Mass: 185.9751535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 153
- 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: 2.8
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.68
4,5-Dichloro-1H-indazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A269002087-1g |
4,5-Dichloro-1H-indazole |
1020243-02-0 | 95% | 1g |
$408.00 | 2023-09-04 | |
| TRC | D436933-10mg |
4,5-Dichloro-1H-indazole |
1020243-02-0 | 10mg |
$64.00 | 2023-05-18 | ||
| TRC | D436933-50mg |
4,5-Dichloro-1H-indazole |
1020243-02-0 | 50mg |
$87.00 | 2023-05-18 | ||
| TRC | D436933-100mg |
4,5-Dichloro-1H-indazole |
1020243-02-0 | 100mg |
$173.00 | 2023-05-18 | ||
| Chemenu | CM232945-1g |
4,5-Dichloro-1H-indazole |
1020243-02-0 | 95% | 1g |
$374 | 2021-08-04 | |
| Apollo Scientific | OR305104-250mg |
4,5-Dichloro-1H-indazole |
1020243-02-0 | 250mg |
£130.00 | 2024-05-25 | ||
| Apollo Scientific | OR305104-1g |
4,5-Dichloro-1H-indazole |
1020243-02-0 | 1g |
£325.00 | 2024-05-25 | ||
| Chemenu | CM232945-1g |
4,5-Dichloro-1H-indazole |
1020243-02-0 | 95% | 1g |
$363 | 2023-02-19 | |
| abcr | AB495176-500 mg |
4,5-Dichloro-1H-indazole, 95%; . |
1020243-02-0 | 95% | 500mg |
€371.20 | 2023-06-15 | |
| abcr | AB495176-1 g |
4,5-Dichloro-1H-indazole, 95%; . |
1020243-02-0 | 95% | 1g |
€500.00 | 2023-06-15 |
4,5-Dichloro-1H-indazole Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
Additional information on 4,5-Dichloro-1H-indazole
Professional Introduction to 4,5-Dichloro-1H-indazole (CAS No. 1020243-02-0)
4,5-Dichloro-1H-indazole (CAS No. 1020243-02-0) is a significant compound in the field of pharmaceutical chemistry, renowned for its versatile applications in drug development and synthetic organic chemistry. This heterocyclic aromatic molecule, characterized by its dichlorinated indazole core, has garnered considerable attention due to its unique structural and chemical properties. The presence of chlorine atoms at the 4 and 5 positions enhances its reactivity, making it a valuable intermediate in the synthesis of various bioactive molecules.
The compound's structure consists of a benzene ring fused with a pyrazole-like ring system, with the chlorine substituents positioned strategically to facilitate further functionalization. This arrangement not only imparts stability but also allows for selective modifications at different sites, enabling chemists to tailor its properties for specific applications. The 4,5-Dichloro-1H-indazole molecule's ability to participate in nucleophilic substitution reactions makes it particularly useful in constructing more complex structures.
In recent years, 4,5-Dichloro-1H-indazole has been extensively studied for its potential in medicinal chemistry. Its indazole scaffold is a common motif found in numerous pharmacologically active agents, including antiviral, anticancer, and antimicrobial compounds. Researchers have leveraged its reactivity to develop novel derivatives with enhanced biological activity. For instance, studies have demonstrated its role as a precursor in the synthesis of indazole-based inhibitors targeting specific enzymes involved in disease pathways.
One of the most compelling aspects of CAS No. 1020243-02-0 is its utility in the development of small-molecule drugs. The dichloro-substituted indazole core serves as a versatile building block, allowing for the introduction of diverse functional groups through further chemical transformations. This flexibility has been exploited in the design of molecules targeting various therapeutic areas. Notably, derivatives of 4,5-Dichloro-1H-indazole have shown promise in preclinical studies as modulators of protein-protein interactions and as inhibitors of kinases and other enzymes relevant to chronic diseases.
The synthesis of 4,5-Dichloro-1H-indazole typically involves multi-step organic reactions starting from readily available precursors. The chlorination step is critical and often requires careful control of reaction conditions to ensure high yield and selectivity. Advances in synthetic methodologies have enabled more efficient and sustainable routes to this compound, aligning with the growing emphasis on green chemistry principles. Techniques such as catalytic chlorination and microwave-assisted synthesis have been employed to optimize production processes.
The pharmacological potential of CAS No. 1020243-02-0 has been explored through both computational modeling and experimental screening. Computational studies have predicted binding affinities and interaction patterns with biological targets, guiding the design of more effective derivatives. Experimental validation has confirmed these predictions, demonstrating the compound's ability to modulate biological pathways relevant to human health. These findings underscore the importance of 4,5-Dichloro-1H-indazole as a scaffold for drug discovery efforts.
In addition to its pharmaceutical applications, CAS No. 1020243-02-0 finds utility in materials science and agrochemical research. Its structural features make it a suitable candidate for developing novel materials with specific electronic properties or for use as intermediates in crop protection agents. The compound's stability under various conditions further enhances its applicability across different scientific domains.
The ongoing research into 4,5-Dichloro-1H-indazole reflects its enduring relevance in chemical biology and drug development. As new methodologies emerge and our understanding of disease mechanisms deepens, compounds like this will continue to play a pivotal role in advancing therapeutic strategies. The combination of synthetic accessibility and biological activity makes it an indispensable tool for researchers striving to develop innovative treatments.
In conclusion, CAS No. 1020243-02-0, specifically the derivative known as 4,5-Dichloro-1H-indazole, represents a cornerstone in modern chemical research with far-reaching implications for medicine and materials science. Its unique structural features and reactivity profile provide a solid foundation for developing novel bioactive molecules that address unmet medical needs. As research progresses, we can anticipate further discoveries that will expand upon its already substantial contributions to science.
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