Cas no 1261992-55-5 (2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic Acid)
2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic Acid Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic Acid
- MFCD18321630
- 2',4-Dichloro-5'-methoxy[1,1'-biphenyl]-3-carboxylic acid
- DTXSID20691030
- 1261992-55-5
- 2-Chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid, 95%
-
- MDL: MFCD18321630
- Inchi: 1S/C14H10Cl2O3/c1-19-9-3-5-12(15)10(7-9)8-2-4-13(16)11(6-8)14(17)18/h2-7H,1H3,(H,17,18)
- InChI Key: YGXSDDKJLMYDDD-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C=C1C1C=CC(=C(C(=O)O)C=1)Cl)OC
Computed Properties
- Exact Mass: 296.0006996g/mol
- Monoisotopic Mass: 296.0006996g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 324
- 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: 4.5
- Topological Polar Surface Area: 46.5?2
2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB328859-5 g |
2-Chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid, 95%; . |
1261992-55-5 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB328859-5g |
2-Chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid, 95%; . |
1261992-55-5 | 95% | 5g |
€1159.00 | 2025-02-14 |
2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic Acid Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
Additional information on 2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic Acid
Introduction to 2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic Acid (CAS No. 1261992-55-5)
2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound, identified by its CAS number 1261992-55-5, belongs to the class of benzoic acid derivatives, which are widely recognized for their diverse biological activities and potential therapeutic applications. The structural features of this molecule, particularly the presence of chlorine and methoxy substituents at specific positions, contribute to its unique chemical properties and reactivity, making it a valuable scaffold for further chemical modifications and drug discovery efforts.
The synthesis and characterization of 2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid have been extensively studied in academic and industrial laboratories. The benzoic acid core is a well-documented pharmacophore, known for its role in various biological processes and its ability to interact with biological targets. The introduction of chlorine atoms at the 2-position and 5-position of the phenyl ring enhances the electrophilicity of the molecule, facilitating further functionalization. Additionally, the methoxy group at the 5-position introduces a degree of electronic delocalization, which can influence the molecule's solubility, stability, and metabolic pathways.
Recent advancements in computational chemistry and molecular modeling have enabled researchers to predict the binding affinities and interactions of 2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid with various biological targets. These studies have highlighted its potential as an intermediate in the development of novel therapeutic agents. For instance, computational studies suggest that this compound may exhibit inhibitory activity against certain enzymes involved in inflammatory pathways, making it a promising candidate for the treatment of chronic inflammatory diseases.
In parallel, experimental investigations have been conducted to evaluate the pharmacological properties of this derivative. Preliminary in vitro assays have demonstrated that 2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid exhibits moderate inhibitory effects on enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are key players in the production of pro-inflammatory mediators. These findings align with the structural features of the compound, which are reminiscent of well-known anti-inflammatory agents.
The role of benzoic acid derivatives in drug development has been well-documented over several decades. The structural versatility of benzoic acid allows for the creation of a wide array of derivatives with tailored biological activities. In particular, modifications at the aromatic ring can significantly alter the pharmacokinetic profile and therapeutic efficacy of these compounds. The presence of multiple substituents, such as chlorine and methoxy groups in 2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid, can enhance its binding affinity to biological targets while also influencing its metabolic stability.
One area where benzoic acid derivatives have shown significant promise is in the treatment of neurological disorders. Several studies have indicated that certain benzoic acid derivatives can modulate neurotransmitter systems, potentially offering therapeutic benefits for conditions such as epilepsy, depression, and anxiety. While 2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid has not yet been directly tested in clinical trials for neurological disorders, its structural similarity to known active compounds suggests that it may possess similar properties.
The synthesis routes for 2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid have been optimized to ensure high yield and purity. Common synthetic strategies involve chlorination reactions followed by methylation at specific positions on the aromatic ring. Advanced techniques such as palladium-catalyzed cross-coupling reactions have also been employed to introduce additional functional groups with high precision. These synthetic methodologies are critical for producing high-quality intermediates that can be further developed into lead compounds for drug discovery.
The pharmacokinetic properties of 2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid are also an important consideration in its development as a potential therapeutic agent. Studies have indicated that benzoic acid derivatives generally exhibit good oral bioavailability due to their moderate lipophilicity and solubility in water. However, the presence of multiple halogen atoms can influence metabolic pathways, potentially leading to rapid clearance or accumulation depending on individual patient factors.
In conclusion, 2-chloro-5-(2-chloro-5-methoxyphenyl)benzoic acid (CAS No. 1261992-55-5) represents a promising scaffold for further pharmaceutical development. Its unique structural features and demonstrated biological activity make it a valuable candidate for investigating novel therapeutic agents. As research continues to uncover new applications for benzoic acid derivatives, this compound is likely to play an important role in future drug discovery efforts.
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