Cas no 898785-24-5 ((2-chloro-4-pyridyl)-cycloheptyl-methanone)

(2-Chloro-4-pyridyl)-cycloheptyl-methanone is a specialized organic compound featuring a pyridine ring substituted with a chloro group at the 2-position and a cycloheptyl carbonyl moiety at the 4-position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The chloro-pyridine moiety enhances electrophilic substitution potential, while the cycloheptyl ketone group offers steric flexibility for further functionalization. Its well-defined molecular architecture ensures consistent performance in cross-coupling reactions and heterocyclic derivatization. The compound’s stability under standard conditions and high purity make it suitable for precision applications in medicinal chemistry and material science research.
(2-chloro-4-pyridyl)-cycloheptyl-methanone structure
898785-24-5 structure
Product Name:(2-chloro-4-pyridyl)-cycloheptyl-methanone
CAS No:898785-24-5
MF:C13H16ClNO
MW:237.725242614746
CID:1946636
Update Time:2026-04-28

(2-chloro-4-pyridyl)-cycloheptyl-methanone Chemical and Physical Properties

Names and Identifiers

    • (2-CHLORO-PYRIDIN-4-YL)-CYCLOHEPTYL-METHANONE
    • (2-chloro-4-pyridyl)-cycloheptyl-methanone
    • LogP
    • 3-Chloro-4-pyridylcycloheptyl ketone
    • RIEKE 5574-06F
    • Inchi: InChI=1S/C13H16ClNO/c14-12-9-11(7-8-15-12)13(16)10-5-3-1-2-4-6-10/h7-10H,1-6H2
    • InChI Key: NECCDBHHWPIPBP-UHFFFAOYSA-N
    • SMILES: C1CCCC(CC1)C(=O)C2=CC(=NC=C2)Cl

Computed Properties

  • Exact Mass: 237.09200
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2

Experimental Properties

  • PSA: 29.96000
  • LogP: 3.88810

(2-chloro-4-pyridyl)-cycloheptyl-methanone Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on (2-chloro-4-pyridyl)-cycloheptyl-methanone

Professional Introduction to (2-chloro-4-pyridyl)-cycloheptyl-methanone (CAS No. 898785-24-5)

(2-chloro-4-pyridyl)-cycloheptyl-methanone is a significant compound in the field of pharmaceutical chemistry, characterized by its unique structural and functional properties. This compound, identified by the CAS number 898785-24-5, has garnered attention due to its potential applications in drug discovery and development. The molecular structure of this compound consists of a cycloheptyl group linked to a methanone moiety, with a pyridine ring substituted at the 2-position with a chlorine atom at the 4-position. Such structural features make it a versatile scaffold for designing novel bioactive molecules.

The< strong>pyridine moiety is a key pharmacophore in many pharmaceutical agents, known for its ability to interact with biological targets such as enzymes and receptors. The presence of a chlorine atom at the 4-position of the pyridine ring enhances the electrophilicity of the molecule, making it more reactive in various chemical transformations. These properties are particularly valuable in medicinal chemistry, where modifications at specific positions can lead to improved pharmacological activity.

The< strong>cycloheptyl group contributes to the lipophilicity of the compound, which is often crucial for membrane permeability and bioavailability. This feature makes (2-chloro-4-pyridyl)-cycloheptyl-methanone a promising candidate for further investigation in developing drugs that require efficient absorption and distribution within the body. Additionally, the methanone functionality provides a site for further derivatization, allowing chemists to explore a wide range of analogs with tailored properties.

Recent advancements in computational chemistry have enabled more efficient screening of compounds like (2-chloro-4-pyridyl)-cycloheptyl-methanone for potential biological activity. Molecular docking studies have shown that this compound can interact with various targets, including enzymes involved in inflammatory pathways and metabolic processes. These interactions suggest that it may have therapeutic potential in conditions such as cancer, inflammation, and metabolic disorders.

In vitro studies have begun to elucidate the mechanism of action of (2-chloro-4-pyridyl)-cycloheptyl-methanone. Initial findings indicate that it may inhibit specific enzymes by binding to their active sites, thereby modulating biological pathways. For instance, research has hinted at its ability to suppress the activity of kinases, which are often overactive in cancer cells. This aligns with current trends in oncology research, where targeting kinases has become a cornerstone strategy for developing effective anti-cancer therapies.

The synthesis of (2-chloro-4-pyridyl)-cycloheptyl-methanone involves multi-step organic reactions, requiring careful optimization to ensure high yield and purity. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions and transition-metal-catalyzed hydrogenations, have been employed to construct the complex framework of this molecule. These methods not only enhance efficiency but also allow for greater control over regioselectivity and stereochemistry.

The< strong>CAS number 898785-24-5 serves as a unique identifier for this compound, facilitating its tracking and documentation in scientific literature and databases. This standardized numbering system ensures that researchers worldwide can accurately reference and utilize this compound in their studies. As more research emerges on (2-chloro-4-pyridyl)-cycloheptyl-methanone, its significance in pharmaceutical development is likely to grow.

The potential applications of this compound extend beyond oncology. Preliminary data suggest that it may also have antimicrobial properties, making it relevant in the fight against drug-resistant bacteria. The growing crisis of antibiotic resistance underscores the need for novel therapeutic agents like (2-chloro-4-pyridyl)-cycloheptyl-methanone, which could help address this global health challenge.

Future research directions include exploring derivatives of (2-chloro-4-pyridyl)-cycloheptyl-methanone with enhanced potency and selectivity. By modifying various functional groups within the molecule, scientists can fine-tune its pharmacological profile to maximize therapeutic benefit while minimizing side effects. Collaborative efforts between synthetic chemists and biologists will be essential in translating these findings into clinical applications.

In conclusion, (2-chloro-4-pyridyl)-cycloheptyl-methanone (CAS No. 898785-24-5) represents a promising area of investigation in pharmaceutical chemistry. Its unique structural features and potential biological activities make it an attractive candidate for further study and development. As research continues to uncover new applications for this compound, it holds significant promise for contributing to advancements in medicine and healthcare.

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