Cas no 882679-56-3 (Ethyl 6-bromoisoquinoline-3-carboxylate)

Ethyl 6-bromoisoquinoline-3-carboxylate is a brominated isoquinoline derivative with significant utility in organic synthesis and pharmaceutical research. Its key structural features include a reactive bromine substituent at the 6-position and an ester group at the 3-position, enabling versatile functionalization through cross-coupling reactions, nucleophilic substitutions, or further derivatization. This compound serves as a valuable intermediate in the synthesis of biologically active molecules, particularly in the development of heterocyclic scaffolds for medicinal chemistry applications. Its well-defined reactivity profile and stability under standard handling conditions make it a practical choice for researchers seeking to explore isoquinoline-based structures in drug discovery or material science.
Ethyl 6-bromoisoquinoline-3-carboxylate structure
882679-56-3 structure
Product Name:Ethyl 6-bromoisoquinoline-3-carboxylate
CAS No:882679-56-3
MF:C12H10BrNO2
MW:280.117302417755
MDL:MFCD26793586
CID:1029435
Update Time:2025-06-07

Ethyl 6-bromoisoquinoline-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 6-bromoisoquinoline-3-carboxylate
    • AK136122
    • AB0055928
    • ST2419370
    • AX8257597
    • Z5249
    • 6-Bromo-isoquinoline-3-carboxylic acid ethyl ester
    • Ethyl 6-bromo-3-isoquinolinecarboxylate (ACI)
    • MDL： MFCD26793586
    • Inchi： 1S/C12H10BrNO2/c1-2-16-12(15)11-6-9-5-10(13)4-3-8(9)7-14-11/h3-7H,2H2,1H3
    • InChI Key： IKTCJOSCOWAUPT-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C2C(C=CC(=C2)Br)=CN=1)OCC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 259
  • XLogP3: 3.3
  • Topological Polar Surface Area: 39.2

Ethyl 6-bromoisoquinoline-3-carboxylate Security Information

Ethyl 6-bromoisoquinoline-3-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-QT515-1g
Ethyl 6-bromoisoquinoline-3-carboxylate
 882679-56-3 97%
1g
 2025.0CNY 2021-07-13
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-QT515-100mg
Ethyl 6-bromoisoquinoline-3-carboxylate
 882679-56-3 97%
100mg
 273CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-QT515-250mg
Ethyl 6-bromoisoquinoline-3-carboxylate
 882679-56-3 97%
250mg
 716CNY 2021-05-08
TRC
E904370-10mg
Ethyl 6-Bromoisoquinoline-3-carboxylate
 882679-56-3
10mg
 $ 50.00 2022-06-05
TRC
E904370-50mg
Ethyl 6-Bromoisoquinoline-3-carboxylate
 882679-56-3
50mg
 $ 115.00 2022-06-05
TRC
E904370-100mg
Ethyl 6-Bromoisoquinoline-3-carboxylate
 882679-56-3
100mg
 $ 185.00 2022-06-05
Chemenu
CM124179-1g
ethyl 6-bromoisoquinoline-3-carboxylate
 882679-56-3 97%
1g
 $228 2021-08-05
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
E846265-100mg
Ethyl 6-bromoisoquinoline-3-carboxylate
 882679-56-3 97%
100mg
 307.80 2021-05-17
abcr
AB441293-250 mg
Ethyl 6-bromoisoquinoline-3-carboxylate; .
 882679-56-3
250MG
 €184.70 2023-07-18
abcr
AB441293-1 g
Ethyl 6-bromoisoquinoline-3-carboxylate; .
 882679-56-3
1g
 €400.70 2023-07-18

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