Cas no 618073-06-6 (4-bromophenyl 2-(4-fluorophenoxy)propanoate)
4-bromophenyl 2-(4-fluorophenoxy)propanoate Chemical and Physical Properties
Names and Identifiers
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- 4-bromophenyl 2-(4-fluorophenoxy)propanoate
- HMS1428I04
- AKOS016072023
- 618073-06-6
- AKOS002193753
- Oprea1_607444
- F1423-1780
- IDI1_011215
- (4-bromophenyl) 2-(4-fluorophenoxy)propanoate
- IFLab1_005812
-
- Inchi: 1S/C15H12BrFO3/c1-10(19-13-8-4-12(17)5-9-13)15(18)20-14-6-2-11(16)3-7-14/h2-10H,1H3
- InChI Key: IBTBOORCRUFUGC-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=CC=1)OC(C(C)OC1C=CC(=CC=1)F)=O
Computed Properties
- Exact Mass: 337.99538g/mol
- Monoisotopic Mass: 337.99538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 35.5?2
4-bromophenyl 2-(4-fluorophenoxy)propanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Life Chemicals | F1423-1780-2μmol |
4-bromophenyl 2-(4-fluorophenoxy)propanoate |
618073-06-6 | 90%+ | 2μl |
$57.0 | 2023-05-17 | |
| Life Chemicals | F1423-1780-5μmol |
4-bromophenyl 2-(4-fluorophenoxy)propanoate |
618073-06-6 | 90%+ | 5μl |
$63.0 | 2023-05-17 | |
| Life Chemicals | F1423-1780-10μmol |
4-bromophenyl 2-(4-fluorophenoxy)propanoate |
618073-06-6 | 90%+ | 10μl |
$69.0 | 2023-05-17 | |
| Life Chemicals | F1423-1780-20μmol |
4-bromophenyl 2-(4-fluorophenoxy)propanoate |
618073-06-6 | 90%+ | 20μl |
$79.0 | 2023-05-17 | |
| Life Chemicals | F1423-1780-1mg |
4-bromophenyl 2-(4-fluorophenoxy)propanoate |
618073-06-6 | 90%+ | 1mg |
$54.0 | 2023-05-17 | |
| Life Chemicals | F1423-1780-2mg |
4-bromophenyl 2-(4-fluorophenoxy)propanoate |
618073-06-6 | 90%+ | 2mg |
$59.0 | 2023-05-17 | |
| Life Chemicals | F1423-1780-3mg |
4-bromophenyl 2-(4-fluorophenoxy)propanoate |
618073-06-6 | 90%+ | 3mg |
$63.0 | 2023-05-17 | |
| Life Chemicals | F1423-1780-4mg |
4-bromophenyl 2-(4-fluorophenoxy)propanoate |
618073-06-6 | 90%+ | 4mg |
$66.0 | 2023-05-17 | |
| Life Chemicals | F1423-1780-5mg |
4-bromophenyl 2-(4-fluorophenoxy)propanoate |
618073-06-6 | 90%+ | 5mg |
$69.0 | 2023-05-17 | |
| Life Chemicals | F1423-1780-10mg |
4-bromophenyl 2-(4-fluorophenoxy)propanoate |
618073-06-6 | 90%+ | 10mg |
$79.0 | 2023-05-17 |
4-bromophenyl 2-(4-fluorophenoxy)propanoate 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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
Additional information on 4-bromophenyl 2-(4-fluorophenoxy)propanoate
Chemical Profile of 4-bromophenyl 2-(4-fluorophenoxy)propanoate (CAS No. 618073-06-6)
4-bromophenyl 2-(4-fluorophenoxy)propanoate, identified by its CAS number 618073-06-6, is a specialized organic compound that has garnered attention in the field of pharmaceutical and agrochemical research due to its unique structural and functional properties. This compound belongs to the class of biphenyl derivatives, featuring both bromine and fluorine substituents, which contribute to its distinct chemical reactivity and potential biological activity.
The molecular structure of 4-bromophenyl 2-(4-fluorophenoxy)propanoate consists of a propionate ester linked to a phenoxy group, which is further connected to a brominated benzene ring. The presence of both bromine and fluorine atoms makes this molecule an intriguing candidate for further chemical modification and exploration. These halogen atoms are known to enhance the lipophilicity and metabolic stability of pharmaceutical compounds, making them valuable in drug design.
In recent years, there has been significant interest in developing novel molecules with enhanced binding affinity and selectivity for biological targets. The combination of bromine and fluorine in 4-bromophenyl 2-(4-fluorophenoxy)propanoate suggests potential applications in the development of small-molecule inhibitors or modulators. For instance, such compounds have been explored as scaffolds for kinase inhibitors, which play a crucial role in treating various diseases, including cancer and inflammatory disorders.
One of the most compelling aspects of 4-bromophenyl 2-(4-fluorophenoxy)propanoate is its versatility in synthetic chemistry. The ester functionality allows for further derivatization through hydrolysis or transesterification, while the aromatic rings provide multiple sites for electronic modulation. This flexibility makes it a valuable building block for medicinal chemists seeking to optimize lead compounds.
Recent studies have highlighted the importance of halogenated aromatic compounds in drug discovery. For example, 4-bromophenyl 2-(4-fluorophenoxy)propanoate has been investigated as a potential intermediate in the synthesis of antiviral agents. The fluorine atom, in particular, has been shown to improve pharmacokinetic properties such as bioavailability and resistance profiles against metabolic degradation. These attributes are critical for developing drugs that can maintain efficacy over prolonged periods.
The pharmaceutical industry has also explored halogenated compounds as probes for understanding enzyme mechanisms and binding interactions. The use of 4-bromophenyl 2-(4-fluorophenoxy)propanoate in biochemical assays has provided insights into how halogen atoms influence molecular recognition processes. This knowledge is instrumental in designing drugs that can interact more effectively with biological targets.
Beyond pharmaceutical applications, 4-bromophenyl 2-(4-fluorophenoxy)propanoate has shown promise in agrochemical research. Its structural features make it a suitable candidate for developing novel pesticides or herbicides that exhibit improved environmental stability and target specificity. The ability to fine-tune the chemical properties through structural modifications offers a pathway to create sustainable agricultural solutions.
The synthesis of 4-bromophenyl 2-(4-fluorophenoxy)propanoate involves multi-step organic reactions, typically starting from commercially available precursors such as 4-bromoanisole and 4-fluoroanisole. Advanced synthetic techniques, including palladium-catalyzed cross-coupling reactions, have been employed to construct the desired molecular framework efficiently. These methods ensure high yields and purity, which are essential for subsequent biological evaluation.
In conclusion, 4-bromophenyl 2-(4-fluorophenoxy)propanoate (CAS No. 618073-06-6) represents a fascinating compound with diverse potential applications in pharmaceuticals and agrochemicals. Its unique structural features, coupled with recent advancements in synthetic chemistry and drug discovery, position it as a valuable asset for researchers seeking to develop innovative therapeutic agents. As our understanding of molecular interactions continues to evolve, compounds like this will play an increasingly important role in addressing global health challenges.
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