Cas no 853577-50-1 (4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one)

4-Chloro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one is a heterocyclic compound featuring a chloro-substituted pyrrolopyridinone core. Its unique structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of biologically active molecules. The chloro group enhances reactivity, facilitating further functionalization, while the fused bicyclic framework contributes to structural diversity in drug design. This compound is characterized by high purity and stability, ensuring consistent performance in synthetic applications. Its utility extends to medicinal chemistry, where it serves as a key scaffold for targeting specific enzyme or receptor interactions. Proper handling and storage under inert conditions are recommended to maintain integrity.
4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one structure
853577-50-1 structure
Product Name:4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one
CAS No:853577-50-1
MF:C7H5ClN2O
MW:168.5804002285
MDL:MFCD12924485
CID:1026919
PubChem ID:11182861
Update Time:2025-05-23

4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-1,2-dihydro-3H-Pyrrolo[3,4-c]pyridin-3-one
    • 3H-PYRROLO[3,4-C]PYRIDIN-3-ONE, 4-CHLORO-1,2-DIHYDRO-
    • 4-chloro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
    • 4-Chloro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
    • 3H-Pyrrolo[3,4-c]pyridin-3-one, 4-chloro-1,2-dihydro
    • J-512593
    • SCHEMBL8289653
    • 3h-pyrrolo[3,4-c]pyridin-3-one,4-chloro-1,2-dihydro-
    • AKOS015920202
    • SY327044
    • A863605
    • MFCD12924485
    • 4-chloro-1H,2H,3H-pyrrolo[3,4-c]pyridin-3-one
    • DTXSID90457887
    • D96489
    • 853577-50-1
    • DB-357912
    • 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one
    • MDL: MFCD12924485
    • Inchi: 1S/C7H5ClN2O/c8-6-5-4(1-2-9-6)3-10-7(5)11/h1-2H,3H2,(H,10,11)
    • InChI Key: QKFIPKNZESNEQL-UHFFFAOYSA-N
    • SMILES: ClC1C2C(NCC=2C=CN=1)=O

Computed Properties

  • Exact Mass: 168.00900
  • Monoisotopic Mass: 168.0090405g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 185
  • 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: 0.7
  • Topological Polar Surface Area: 42?2

Experimental Properties

  • PSA: 45.48000
  • LogP: 0.98880

4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one Pricemore >>

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4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:853577-50-1)4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one
Order Number:A863605
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:42
Price ($):2269.0

4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one Related Literature

Additional information on 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one

Recent Advances in the Study of 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one (CAS: 853577-50-1)

4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one (CAS: 853577-50-1) is a heterocyclic compound that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its potential applications in drug discovery and development. This research brief aims to provide an overview of the latest studies and findings related to this compound, focusing on its synthesis, biological activity, and therapeutic potential.

Recent literature highlights the importance of 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one as a key intermediate in the synthesis of various pharmacologically active molecules. Studies have demonstrated its utility in the development of kinase inhibitors, which are critical for targeting signaling pathways involved in cancer and inflammatory diseases. The compound's unique structure allows for selective modulation of enzyme activity, making it a valuable scaffold for drug design.

One of the most notable advancements is the optimization of synthetic routes for 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one, which has improved yield and purity. Researchers have employed modern techniques such as microwave-assisted synthesis and flow chemistry to enhance efficiency and reduce environmental impact. These innovations are crucial for scaling up production and facilitating further pharmacological evaluations.

In terms of biological activity, recent in vitro and in vivo studies have explored the compound's potential as an anti-inflammatory and anti-cancer agent. Preliminary results indicate that derivatives of 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one exhibit promising inhibitory effects on specific kinases, such as JAK and PI3K, which are implicated in various pathological conditions. These findings underscore the compound's versatility and potential for therapeutic applications.

Furthermore, computational modeling and structure-activity relationship (SAR) studies have provided insights into the molecular interactions of 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one with its biological targets. These studies have identified key structural features that contribute to its activity and selectivity, paving the way for the design of more potent and specific analogs.

Despite these promising developments, challenges remain in the clinical translation of 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one-based therapeutics. Issues such as bioavailability, metabolic stability, and potential off-target effects need to be addressed through further research. Collaborative efforts between chemists, biologists, and pharmacologists will be essential to overcome these hurdles and realize the full potential of this compound.

In conclusion, 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one (CAS: 853577-50-1) represents a promising scaffold in medicinal chemistry with diverse applications. Continued research into its synthesis, biological activity, and therapeutic potential will likely yield significant advancements in drug discovery and development. This brief serves as a foundation for further exploration and discussion within the scientific community.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:853577-50-1)4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one
A863605
Purity:99%
Quantity:1g
Price ($):2269.0
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