Cas no 58794-08-4 (Ethyl isoquinoline-5-carboxylate)

Ethyl isoquinoline-5-carboxylate is a versatile organic compound with a molecular formula of C12H11NO2, featuring an ethyl ester group attached to the 5-position of the isoquinoline scaffold. This heterocyclic structure imparts unique electronic and steric properties, making it valuable in pharmaceutical and material science research. Its ester functionality enhances solubility in organic solvents, facilitating synthetic modifications. The compound serves as a key intermediate in the synthesis of bioactive molecules, particularly in developing potential therapeutic agents targeting neurological and inflammatory pathways. Its rigid aromatic core contributes to stability, while the carboxylate group allows for further derivatization, enabling diverse applications in medicinal chemistry and drug discovery. The compound's well-defined structure ensures reproducibility in research applications.
Ethyl isoquinoline-5-carboxylate structure
58794-08-4 structure
Product Name:Ethyl isoquinoline-5-carboxylate
CAS No:58794-08-4
MF:C12H11NO2
MW:201.221243143082
CID:1031063
PubChem ID:20493478
Update Time:2025-07-02

Ethyl isoquinoline-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl isoquinoline-5-carboxylate
    • Ethyl 5-isoquinolinecarboxylate
    • SCHEMBL11143673
    • 58794-08-4
    • DTXSID10608056
    • DB-265009
    • Ethylisoquinoline-5-carboxylate
    • MDL： MFCD06205251
    • Inchi： 1S/C12H11NO2/c1-2-15-12(14)11-5-3-4-9-8-13-7-6-10(9)11/h3-8H,2H2,1H3
    • InChI Key： YHUNEISKNBENOW-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1=CC=CC2C=NC=CC1=2)=O

Computed Properties

  • Exact Mass: 201.078978594g/mol
  • Monoisotopic Mass: 201.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 230
  • 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: 2.3
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • Density: 1.175±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.54 g/l) (25 o C),

Ethyl isoquinoline-5-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A189005015-1g
Ethyl isoquinoline-5-carboxylate
 58794-08-4 95%
1g
 $400.00 2023-09-01
Chemenu
CM145825-5g
ethyl isoquinoline-5-carboxylate
 58794-08-4 95%
5g
 $707 2021-08-05
Chemenu
CM145825-1g
ethyl isoquinoline-5-carboxylate
 58794-08-4 95%
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 $*** 2023-05-30
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1738659-1g
Ethyl isoquinoline-5-carboxylate
 58794-08-4 98%
1g
 ￥2100.00 2024-05-07
Crysdot LLC
CD11099233-5g
Ethyl isoquinoline-5-carboxylate
 58794-08-4 95+%
5g
 $749 2024-07-18

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