Cas no 764648-43-3 (2,4,5-Trifluorobenzamidine hydrochloride)
2,4,5-Trifluorobenzamidine hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 2,4,5-TRIFLUORO-BENZAMIDINE
- 2,4,5-TRIFLUOROBENZAMIDINE HYDROCHLORIDE
- 2,4,5-Trifluoro-Benzamidine Hydrochloride
- N13288
- EN300-1826965
- CS-0455626
- DTXSID301287903
- 2,4,5-trifluorobenzene-1-carboximidamide
- 764648-43-3
- 2,4,5-Trifluorobenzimidamide
- SCHEMBL12634674
- AKOS006293228
- DB-260336
- 2,4,5-trifluorobenzenecarboximidamide
- 2,4,5-Trifluorobenzamidine hydrochloride
-
- MDL: MFCD05663405
- Inchi: 1S/C7H5F3N2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H3,11,12)
- InChI Key: JXGCBKPKCDTSGD-UHFFFAOYSA-N
- SMILES: FC1C=C(C(=CC=1C(=N)N)F)F
Computed Properties
- Exact Mass: 174.04048265g/mol
- Monoisotopic Mass: 174.04048265g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- 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: 1.2
- Topological Polar Surface Area: 49.9?2
2,4,5-Trifluorobenzamidine hydrochloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 12R0063-1g |
2,4,5-Trifluoro-benzamidine |
764648-43-3 | 97% | 1g |
8463.46CNY | 2021-05-07 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 12R0063-5g |
2,4,5-Trifluoro-benzamidine |
764648-43-3 | 97% | 5g |
33904.74CNY | 2021-05-07 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 12R0063-500mg |
2,4,5-Trifluoro-benzamidine |
764648-43-3 | 97% | 500mg |
4655.75CNY | 2021-05-07 | |
| Alichem | A019143591-5g |
2,4,5-Trifluorobenzimidamide |
764648-43-3 | 97% | 5g |
$1207.34 | 2023-09-01 | |
| TRC | T220540-250mg |
2,4,5-Trifluorobenzamidine hydrochloride |
764648-43-3 | 250mg |
$ 325.00 | 2022-06-03 | ||
| TRC | T220540-500mg |
2,4,5-Trifluorobenzamidine hydrochloride |
764648-43-3 | 500mg |
$ 545.00 | 2022-06-03 | ||
| TRC | T220540-1000mg |
2,4,5-Trifluorobenzamidine hydrochloride |
764648-43-3 | 1g |
$ 870.00 | 2022-06-03 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1526293-500mg |
2,4,5-Trifluorobenzimidamide |
764648-43-3 | 98% | 500mg |
¥6517.00 | 2024-07-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1526293-1g |
2,4,5-Trifluorobenzimidamide |
764648-43-3 | 98% | 1g |
¥12694.00 | 2024-07-28 | |
| eNovation Chemicals LLC | Y1294752-500mg |
2,4,5-Trifluoro-benzamidine |
764648-43-3 | 95% | 500mg |
$660 | 2023-05-18 |
2,4,5-Trifluorobenzamidine hydrochloride Related Literature
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
Additional information on 2,4,5-Trifluorobenzamidine hydrochloride
Introduction to 2,4,5-Trifluorobenzamidine hydrochloride (CAS No. 764648-43-3)
2,4,5-Trifluorobenzamidine hydrochloride, with the chemical identifier CAS No. 764648-43-3, is a fluorinated benzamidine derivative that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to a class of molecules characterized by the presence of multiple fluorine atoms, which confer unique electronic and steric properties, making it a valuable scaffold for the development of novel bioactive agents.
The structural motif of 2,4,5-Trifluorobenzamidine hydrochloride consists of a benzene ring substituted with three fluorine atoms at the 2, 4, and 5 positions, linked to an amidine group. The hydrochloride salt form enhances its solubility in aqueous media, facilitating its use in various biochemical and pharmacological assays. The compound’s ability to interact with biological targets through hydrogen bonding and electrostatic interactions has been leveraged in the design of inhibitors targeting enzymes involved in critical metabolic pathways.
In recent years, there has been growing interest in the development of fluorinated aromatic compounds due to their enhanced metabolic stability and improved binding affinity to biological targets. 2,4,5-Trifluorobenzamidine hydrochloride exemplifies this trend, as it has been investigated for its potential applications in drug discovery. Its fluorinated structure not only increases lipophilicity but also modulates electronic properties, allowing for fine-tuning of interactions with proteins and nucleic acids.
One of the most compelling aspects of 2,4,5-Trifluorobenzamidine hydrochloride is its utility as a building block for more complex molecules. Researchers have utilized this compound to synthesize derivatives with enhanced pharmacological properties. For instance, modifications at the amidine group have led to the development of potent inhibitors of matrix metalloproteinases (MMPs), which are enzymes implicated in various pathological processes such as cancer metastasis and inflammation.
The role of fluorine atoms in medicinal chemistry is well-documented, with their presence often leading to improved pharmacokinetic profiles. The introduction of fluorine at specific positions on the benzene ring in 2,4,5-Trifluorobenzamidine hydrochloride enhances its binding affinity to target enzymes by influencing both steric and electronic effects. This has been particularly relevant in the design of kinase inhibitors, where subtle modifications can significantly alter enzyme inhibition kinetics.
Recent studies have highlighted the potential of 2,4,5-Trifluorobenzamidine hydrochloride as an intermediate in the synthesis of antiviral agents. The compound’s ability to interfere with viral protease activity has been explored, particularly in the context of emerging infectious diseases. By targeting essential viral enzymes with high specificity, derivatives of this molecule have shown promise in preclinical models as candidates for therapeutic intervention.
The synthesis of 2,4,5-Trifluorobenzamidine hydrochloride involves multi-step organic transformations that highlight its synthetic versatility. The introduction of fluorine atoms typically requires specialized methodologies such as halogen exchange reactions or direct fluorination techniques. These synthetic strategies not only underscore the compound’s complexity but also demonstrate the advancements in fluorinated chemistry that have enabled its production at scale.
In conclusion,2,4,5-Trifluorobenzamidine hydrochloride (CAS No. 764648-43-3) represents a significant advancement in pharmaceutical chemistry due to its unique structural features and biological relevance. Its role as a versatile intermediate and lead compound underscores its importance in drug discovery efforts aimed at addressing critical therapeutic challenges. As research continues to uncover new applications for this compound and its derivatives,2,4,5-Trifluorobenzamidine hydrochloride is poised to remain a cornerstone in medicinal biology and chemical pharmacology.
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