Cas no 36991-64-7 (6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid)

6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid is a cinnoline derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a carboxylic acid group at the 3-position and an isobutyl substituent at the 6-position, contributing to its unique reactivity and binding properties. This compound may serve as a key intermediate in the synthesis of biologically active molecules, particularly those targeting enzyme inhibition or receptor modulation. Its crystalline form and defined molecular weight allow for precise handling in synthetic workflows. Researchers value this compound for its versatility in heterocyclic chemistry and its potential role in developing novel therapeutic agents or crop protection chemicals.
6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid structure
36991-64-7 structure
Product Name:6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
CAS No:36991-64-7
MF:C13H14N2O3
MW:246.261863231659
CID:3167254
PubChem ID:84819586
Update Time:2025-06-07

6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
    • 36991-64-7
    • 6-(2-methylpropyl)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
    • 6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylicacid
    • Inchi： 1S/C13H14N2O3/c1-7(2)5-8-3-4-10-9(6-8)12(16)11(13(17)18)15-14-10/h3-4,6-7H,5H2,1-2H3,(H,14,16)(H,17,18)
    • InChI Key： PEYZCJOJOGMYSZ-UHFFFAOYSA-N
    • SMILES： N1=C2C(C=C(CC(C)C)C=C2)=C(O)C(C(O)=O)=N1

Computed Properties

  • Exact Mass: 246.10044231Da
  • Monoisotopic Mass: 246.10044231Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 390
  • 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: 3.4
  • Topological Polar Surface Area: 78.8?2

6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid Pricemore >>

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6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:36991-64-7)6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
Order Number:A913849
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:50
Price ($):1068.0

6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid Related Literature

36991-64-7 (6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:36991-64-7)6-Isobutyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
A913849
Purity:99%
Quantity:1g
Price ($):1068.0
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