Cas no 1404367-17-4 (4-bromo-8-fluoro-isoquinoline)
4-bromo-8-fluoro-isoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-8-fluoroisoquinoline
- 4-bromo-8-fluoro-isoquinoline
- DB-253138
- CS-0186964
- EN300-1614038
- SCHEMBL13724624
- 1404367-17-4
- MFCD22690396
- Isoquinoline, 4-bromo-8-fluoro-
- UHILZFOAYBIJLR-UHFFFAOYSA-N
- AS-39146
- AKOS024154843
- EGC36717
- 970-061-4
-
- MDL: MFCD22690396
- Inchi: 1S/C9H5BrFN/c10-8-5-12-4-7-6(8)2-1-3-9(7)11/h1-5H
- InChI Key: UHILZFOAYBIJLR-UHFFFAOYSA-N
- SMILES: BrC1=CN=CC2C(=CC=CC=21)F
Computed Properties
- Exact Mass: 224.95894g/mol
- Monoisotopic Mass: 224.95894g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 165
- 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: 2.9
- Topological Polar Surface Area: 12.9?2
4-bromo-8-fluoro-isoquinoline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM223039-1g |
4-Bromo-8-fluoroisoquinoline |
1404367-17-4 | 95% | 1g |
$739 | 2021-08-04 | |
| Alichem | A189006652-1g |
4-Bromo-8-fluoroisoquinoline |
1404367-17-4 | 95% | 1g |
$876.90 | 2022-04-02 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NU932-100mg |
4-bromo-8-fluoro-isoquinoline |
1404367-17-4 | 95+% | 100mg |
1877CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NU932-250mg |
4-bromo-8-fluoro-isoquinoline |
1404367-17-4 | 95+% | 250mg |
5034CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NU932-50mg |
4-bromo-8-fluoro-isoquinoline |
1404367-17-4 | 95+% | 50mg |
1217.0CNY | 2021-07-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NU932-200mg |
4-bromo-8-fluoro-isoquinoline |
1404367-17-4 | 95+% | 200mg |
3043.0CNY | 2021-07-17 | |
| Chemenu | CM223039-250mg |
4-Bromo-8-fluoroisoquinoline |
1404367-17-4 | 95% | 250mg |
$*** | 2023-03-30 | |
| Chemenu | CM223039-1g |
4-Bromo-8-fluoroisoquinoline |
1404367-17-4 | 95% | 1g |
$*** | 2023-03-30 | |
| eNovation Chemicals LLC | Y1003018-5g |
4-Bromo-8-fluoroisoquinoline |
1404367-17-4 | 95% | 5g |
$3000 | 2024-07-24 | |
| eNovation Chemicals LLC | D502045-1g |
4-bromo-8-fluoroisoquinoline |
1404367-17-4 | 95% | 1g |
$885 | 2024-05-24 |
4-bromo-8-fluoro-isoquinoline Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
Additional information on 4-bromo-8-fluoro-isoquinoline
Introduction to 4-Bromo-8-Fluoro-Isoquinoline (CAS No. 1404367-17-4)
4-Bromo-8-fluoro-isoquinoline (CAS No. 1404367-17-4) is a heterocyclic aromatic compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound belongs to the isoquinoline family, which is a class of bicyclic compounds with a wide range of applications. The isoquinoline core is characterized by a benzene ring fused to a pyridine ring, and in this case, it is further substituted with bromine and fluorine atoms at the 4 and 8 positions, respectively. These substituents significantly influence the electronic properties, reactivity, and potential applications of the molecule.
The synthesis of 4-bromo-8-fluoro-isoquinoline involves multi-step organic reactions, often starting from readily available starting materials such as o-chloroaniline or o-fluoroaniline. The process typically includes nucleophilic substitution, oxidation, and cyclization steps to form the isoquinoline skeleton. The introduction of bromine and fluorine substituents is achieved through electrophilic substitution reactions or through directed metallation strategies. The precise control of reaction conditions is crucial to ensure high yields and purity of the final product.
Recent studies have highlighted the potential of 4-bromo-8-fluoro-isoquinoline in drug discovery efforts. Its unique electronic properties make it a promising candidate for modulating various biological targets, including kinases, ion channels, and receptors. For instance, researchers have explored its ability to inhibit protein kinases involved in cancer cell proliferation. The bromine and fluorine substituents contribute to the molecule's lipophilicity and bioavailability, which are critical factors in drug design.
In addition to its biological applications, 4-bromo-8-fluoro-isoquinoline has shown promise in materials science. Its aromaticity and conjugated system make it suitable for use in organic electronics, such as light-emitting diodes (LEDs) and photovoltaic devices. Recent advancements in this area have demonstrated that derivatives of isoquinoline can exhibit excellent charge transport properties, making them valuable components in next-generation electronic devices.
The structural versatility of 4-bromo-8-fluoro-isoquinoline also lends itself to further functionalization. By introducing additional substituents or modifying the existing ones, chemists can tailor the compound's properties for specific applications. For example, the introduction of electron-donating or withdrawing groups can alter the molecule's electronic behavior, enabling its use in a broader range of chemical reactions or materials applications.
From an environmental standpoint, understanding the fate and toxicity of 4-bromo-8-fluoro-isoquinoline is essential for its safe handling and application. Studies have shown that its biodegradation pathways are influenced by its substituents; however, further research is needed to fully characterize its environmental impact.
In conclusion, 4-bromo-8-fluoro-isoquinoline (CAS No. 1404367-17-4) stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure, coupled with recent advancements in synthesis and application development, positions it as a valuable tool in both academic research and industrial innovation.
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