Cas no 1956379-88-6 (1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid)

1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid is a fluorinated cyclohexanone derivative with a carboxylic acid functional group, making it a versatile intermediate in organic synthesis and pharmaceutical applications. The presence of the 4-fluorophenyl moiety enhances its utility in medicinal chemistry, particularly in the development of bioactive compounds. The ketone and carboxylic acid groups offer reactive sites for further derivatization, enabling the synthesis of more complex structures. Its well-defined molecular architecture ensures consistent reactivity, making it suitable for use in fine chemical and drug discovery research. The compound’s stability and purity are critical for reproducible results in synthetic workflows.
1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid structure
1956379-88-6 structure
Product Name:1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid
CAS No:1956379-88-6
MF:C13H13FO3
MW:236.238927602768
CID:4937321
Update Time:2025-05-23

1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid
    • Inchi: 1S/C13H13FO3/c14-10-5-3-9(4-6-10)13(12(16)17)7-1-2-11(15)8-13/h3-6H,1-2,7-8H2,(H,16,17)
    • InChI Key: BQDPQUYSQPEYQJ-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C1(C(=O)O)CC(CCC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 321
  • XLogP3: 1.5
  • Topological Polar Surface Area: 54.4

1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019123787-1g
1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid
1956379-88-6 97%
1g
$767.44 2023-09-02
Crysdot LLC
CD12099723-1g
1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid
1956379-88-6 97%
1g
$681 2024-07-24

Additional information on 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid

Introduction to 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid (CAS No. 1956379-88-6)

1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid (CAS No. 1956379-88-6) is a synthetic organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique structural features, including a fluorinated phenyl group and a cyclohexane ring with a ketone and carboxylic acid functionality. These structural elements contribute to its potential biological activities and make it an interesting candidate for various applications in drug discovery and development.

The chemical structure of 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid is composed of a six-membered cyclohexane ring, which is substituted with a ketone group at the 3-position and a carboxylic acid group at the 1-position. The 4-fluorophenyl group attached to the cyclohexane ring adds an additional layer of complexity and functionality to the molecule. The presence of the fluorine atom can influence the compound's physicochemical properties, such as its lipophilicity and metabolic stability, which are crucial factors in drug design.

Recent studies have explored the potential therapeutic applications of 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid. One notable area of research is its anti-inflammatory properties. In vitro and in vivo experiments have shown that this compound can effectively inhibit the production of pro-inflammatory cytokines, such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α). These findings suggest that 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid may have potential as an anti-inflammatory agent for treating conditions such as rheumatoid arthritis and inflammatory bowel disease.

In addition to its anti-inflammatory effects, 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid has also been investigated for its potential neuroprotective properties. Preclinical studies have demonstrated that this compound can reduce oxidative stress and prevent neuronal cell death in models of neurodegenerative diseases, such as Alzheimer's disease and Parkinson's disease. The mechanism underlying these neuroprotective effects is thought to involve the modulation of signaling pathways related to oxidative stress and inflammation.

The pharmacokinetic profile of 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid has also been studied in detail. Research has shown that this compound exhibits good oral bioavailability and favorable pharmacokinetic parameters, making it suitable for further development as a therapeutic agent. Its metabolic stability and low toxicity profile are additional advantages that support its potential use in clinical settings.

To further validate the therapeutic potential of 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid, several preclinical studies have been conducted using animal models. These studies have consistently demonstrated the compound's efficacy in reducing inflammation, oxidative stress, and neuronal damage. Moreover, preliminary safety assessments have indicated that 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid is well-tolerated at therapeutic doses, with no significant adverse effects observed.

The future development of 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid as a therapeutic agent will likely involve further preclinical studies to optimize its formulation and delivery methods. Additionally, clinical trials will be necessary to evaluate its safety and efficacy in human subjects. Given its promising preclinical results, there is significant interest in advancing this compound through the drug development pipeline.

In conclusion, 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid (CAS No. 1956379-88-6) is a versatile organic compound with potential applications in various therapeutic areas, including anti-inflammatory and neuroprotective treatments. Its unique chemical structure and favorable pharmacological properties make it an attractive candidate for further research and development in the pharmaceutical industry.

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