Cas no 27049-94-1 ((5-methylthiophen-2-yl)(phenyl)methanone)
(5-methylthiophen-2-yl)(phenyl)methanone Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (5-methyl-2-thienyl)phenyl-
- (5-methylthiophen-2-yl)(phenyl)methanone
- 27049-94-1
- EN300-1694063
- G47035
- SCHEMBL11403347
- (5-methylthiophen-2-yl)-phenylmethanone
- CBA04994
- CS-0236160
-
- Inchi: 1S/C12H10OS/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h2-8H,1H3
- InChI Key: NZQSKSSFQCFCMX-UHFFFAOYSA-N
- SMILES: S1C(C)=CC=C1C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 202.0453
- Monoisotopic Mass: 202.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 208
- 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: 3.7
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
(5-methylthiophen-2-yl)(phenyl)methanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1694063-1g |
(5-methylthiophen-2-yl)(phenyl)methanone |
27049-94-1 | 95% | 1g |
$499.0 | 2023-09-20 | |
| Enamine | EN300-1694063-5g |
(5-methylthiophen-2-yl)(phenyl)methanone |
27049-94-1 | 95% | 5g |
$1448.0 | 2023-09-20 | |
| Enamine | EN300-1694063-10g |
(5-methylthiophen-2-yl)(phenyl)methanone |
27049-94-1 | 95% | 10g |
$2146.0 | 2023-09-20 | |
| Enamine | EN300-1694063-0.05g |
(5-methylthiophen-2-yl)(phenyl)methanone |
27049-94-1 | 95% | 0.05g |
$94.0 | 2023-09-20 | |
| Enamine | EN300-1694063-0.1g |
(5-methylthiophen-2-yl)(phenyl)methanone |
27049-94-1 | 95% | 0.1g |
$140.0 | 2023-09-20 | |
| Enamine | EN300-1694063-0.25g |
(5-methylthiophen-2-yl)(phenyl)methanone |
27049-94-1 | 95% | 0.25g |
$200.0 | 2023-09-20 | |
| Enamine | EN300-1694063-0.5g |
(5-methylthiophen-2-yl)(phenyl)methanone |
27049-94-1 | 95% | 0.5g |
$374.0 | 2023-09-20 | |
| Enamine | EN300-1694063-1.0g |
(5-methylthiophen-2-yl)(phenyl)methanone |
27049-94-1 | 95% | 1g |
$499.0 | 2023-06-04 | |
| Enamine | EN300-1694063-2.5g |
(5-methylthiophen-2-yl)(phenyl)methanone |
27049-94-1 | 95% | 2.5g |
$978.0 | 2023-09-20 | |
| Enamine | EN300-1694063-5.0g |
(5-methylthiophen-2-yl)(phenyl)methanone |
27049-94-1 | 95% | 5g |
$1448.0 | 2023-06-04 |
(5-methylthiophen-2-yl)(phenyl)methanone Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
Additional information on (5-methylthiophen-2-yl)(phenyl)methanone
Introduction to (5-methylthiophen-2-yl)(phenyl)methanone and Its Significance in Modern Chemical Research
Compound with the CAS number 27049-94-1, specifically identified as (5-methylthiophen-2-yl)(phenyl)methanone, represents a fascinating molecule with a rich structural and functional profile. This compound, characterized by its unique thiophene and phenyl moieties, has garnered considerable attention in the field of chemical biology and pharmaceutical research. The structural features of this molecule make it a valuable scaffold for the development of novel therapeutic agents, particularly in the context of addressing complex biological pathways.
The significance of (5-methylthiophen-2-yl)(phenyl)methanone is underscored by its potential applications in various research domains. The presence of a thiophene ring, a heterocyclic compound known for its stability and biological activity, contributes to the molecule's versatility. Thiophenes are widely recognized for their role in medicinal chemistry due to their ability to interact with biological targets such as enzymes and receptors. The incorporation of a methyl group at the 5-position of the thiophene ring further enhances its pharmacological properties, making it an attractive candidate for drug design.
Moreover, the phenyl group in (5-methylthiophen-2-yl)(phenyl)methanone adds another layer of complexity and functionality. Phenyl rings are commonly found in many bioactive molecules and are known for their ability to modulate electronic properties and binding affinities. The combination of a thiophene and a phenyl ring in this compound suggests that it may exhibit dual-targeting capabilities, which could be particularly useful in the development of multi-modal therapeutic strategies.
Recent advancements in computational chemistry have enabled researchers to explore the structural and functional properties of such molecules with unprecedented detail. Molecular modeling studies have shown that (5-methylthiophen-2-yl)(phenyl)methanone can interact with various biological targets through multiple binding sites. This suggests that it may have the potential to disrupt or modulate complex biological pathways, making it a promising candidate for further investigation.
In the realm of drug discovery, the synthesis of analogs derived from (5-methylthiophen-2-yl)(phenyl)methanone has been a focus of numerous research groups. By modifying specific functional groups or introducing new ones, researchers aim to optimize the pharmacological properties of this compound. For instance, studies have explored the impact of substituting different atoms within the thiophene ring or altering the connectivity between the thiophene and phenyl moieties. These modifications can lead to significant changes in potency, selectivity, and metabolic stability.
The role of thiophene derivatives in medicinal chemistry is well-documented, with several FDA-approved drugs featuring thiophene scaffolds. These drugs exhibit a wide range of therapeutic effects, including antiviral, anti-inflammatory, and anticancer activities. The structural motifs present in (5-methylthiophen-2-yl)(phenyl)methanone align closely with those found in these successful drugs, suggesting that it may inherit similar beneficial properties.
One particularly intriguing aspect of this compound is its potential application in addressing neurological disorders. Thiophene derivatives have been shown to interact with neurotransmitter systems and ion channels, making them candidates for treating conditions such as depression, epilepsy, and neurodegenerative diseases. Preliminary studies using computational models have suggested that (5-methylthiophen-2-yl)(phenyl)methanone could modulate certain key neurotransmitter receptors, potentially leading to novel therapeutic interventions.
The development of new synthetic methodologies has also played a crucial role in advancing research involving compounds like (5-methylthiophen-2-yl)(phenyl)methanone. Advanced synthetic techniques allow for more efficient and scalable production of these molecules, enabling researchers to conduct more extensive studies on their biological activities. Techniques such as cross-coupling reactions and palladium-catalyzed transformations have been particularly useful in constructing complex molecular frameworks while maintaining high yields and purity.
In conclusion, compound CAS no27049-94-1, identified as (5-methylthiophen-2-yl)(phenyl)methanone, represents a significant advancement in chemical biology and pharmaceutical research. Its unique structural features make it a versatile scaffold for drug design, with potential applications across multiple therapeutic areas. The ongoing exploration of its pharmacological properties through computational modeling and synthetic chemistry continues to uncover new possibilities for its use in developing innovative treatments for complex diseases.
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