Cas no 1261925-39-6 (3-Bromo-5-(2-methoxy-5-methylphenyl)phenol)
3-Bromo-5-(2-methoxy-5-methylphenyl)phenol Chemical and Physical Properties
Names and Identifiers
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- 1261925-39-6
- DTXSID00686404
- MFCD18316079
- 3-BROMO-5-(2-METHOXY-5-METHYLPHENYL)PHENOL
- 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol, 95%
- 5-Bromo-2'-methoxy-5'-methyl[1,1'-biphenyl]-3-ol
- 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol
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- MDL: MFCD18316079
- Inchi: 1S/C14H13BrO2/c1-9-3-4-14(17-2)13(5-9)10-6-11(15)8-12(16)7-10/h3-8,16H,1-2H3
- InChI Key: CZKVXHGOSYBHAM-UHFFFAOYSA-N
- SMILES: BrC1C=C(C=C(C=1)C1C=C(C)C=CC=1OC)O
Computed Properties
- Exact Mass: 292.00989Da
- Monoisotopic Mass: 292.00989Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 246
- 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: 4.2
- Topological Polar Surface Area: 29.5?2
3-Bromo-5-(2-methoxy-5-methylphenyl)phenol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB322285-5 g |
3-Bromo-5-(2-methoxy-5-methylphenyl)phenol, 95%; . |
1261925-39-6 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB322285-5g |
3-Bromo-5-(2-methoxy-5-methylphenyl)phenol, 95%; . |
1261925-39-6 | 95% | 5g |
€1159.00 | 2025-03-19 |
3-Bromo-5-(2-methoxy-5-methylphenyl)phenol Related Literature
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
Additional information on 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol
Introduction to 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol (CAS No: 1261925-39-6) and Its Emerging Applications in Chemical Biology
3-Bromo-5-(2-methoxy-5-methylphenyl)phenol, identified by its unique Chemical Abstracts Service (CAS) number 1261925-39-6, is a specialized organic compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its brominated aromatic structure and methoxy-methylphenyl substituents, exhibits a distinct chemical profile that makes it a valuable candidate for various biochemical investigations. The molecular architecture of 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol not only contributes to its reactivity but also opens up possibilities for its application in drug discovery, particularly in the development of novel therapeutic agents targeting complex biological pathways.
The structural features of 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol include a bromine atom at the 3-position and a 2-methoxy-5-methylphenyl group at the 5-position of the phenol ring. This arrangement imparts unique electronic and steric properties to the molecule, which are critical for its interaction with biological targets. The presence of the bromine atom enhances electrophilic substitution reactions, making it a versatile intermediate in synthetic chemistry. Meanwhile, the methoxy and methyl groups introduce hydrophobicity and modulate the compound's solubility, which are essential factors in drug design.
In recent years, there has been growing interest in exploring the pharmacological potential of 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol due to its structural similarity to known bioactive molecules. Studies have begun to uncover its potential role in modulating enzyme activity and receptor binding, particularly in contexts related to inflammation, cancer, and neurodegenerative diseases. For instance, preliminary research suggests that this compound may interact with certain kinases and transcription factors, influencing cellular signaling pathways that are dysregulated in disease states.
One of the most compelling aspects of 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol is its utility as a building block in medicinal chemistry. The bromine substituent allows for further functionalization via cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings, enabling the synthesis of more complex derivatives with tailored biological activities. Additionally, the phenolic hydroxyl group can participate in hydrogen bonding interactions, which is crucial for designing molecules with high binding affinity to protein targets. These characteristics make it an attractive scaffold for developing small molecule inhibitors or agonists.
The synthesis of 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol involves multi-step organic transformations that highlight its synthetic accessibility while maintaining high purity standards. Advanced synthetic methodologies, including palladium-catalyzed coupling reactions and selective halogenation techniques, have been employed to construct its core structure efficiently. These synthetic strategies not only facilitate large-scale production but also allow for modifications that can enhance pharmacokinetic properties such as bioavailability and metabolic stability.
From a computational chemistry perspective, 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol has been subjected to molecular modeling studies to predict its binding modes with biological targets. Quantum mechanical calculations have provided insights into its electronic distribution and potential hydrogen bonding networks, aiding in the rational design of derivatives with improved efficacy. These computational approaches are increasingly integral to modern drug discovery pipelines, enabling researchers to prioritize compounds based on their predicted interactions before experimental validation.
Recent advancements in chemical biology have also highlighted the role of 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol in studying protein-protein interactions (PPIs). Its structural features allow it to act as a probe or inhibitor in PPIs associated with diseases like Alzheimer's and cancer. By disrupting or stabilizing these interactions, this compound could potentially modulate disease progression. Furthermore, its ability to cross the blood-brain barrier makes it a promising candidate for central nervous system (CNS) drug development.
The pharmaceutical industry has taken note of these promising findings, leading to increased investment in exploring 3-Bromo-5-(2-methoxy-5-methylphenyl)phenol's therapeutic potential. Several academic institutions and biotechnology companies are currently conducting preclinical studies to evaluate its safety and efficacy in animal models. These studies aim to validate initial observations from cell-based assays and identify optimal dosing regimens for future clinical trials.
In conclusion,3-Bromo-5-(2-methoxy-5-methylphenyl)phenol (CAS No: 1261925-39-6) represents a significant advancement in chemical biology research due to its unique structural properties and multifaceted applications. Its role as a synthetic intermediate, pharmacological probe, and potential drug candidate underscores its importance in addressing unmet medical needs. As research continues to uncover new biological functions and synthetic possibilities,3-Bromo-5-(2-methoxy-5-methylphenyl)phenol is poised to remain at the forefront of medicinal chemistry innovation.
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