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CS-W001157 4
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Isoquinoline-7-carboxylic acid

  • CAS No. 221050-96-0

  • Cat. No. CS-0039143
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Isoquinoline-7-carboxylic acid|CS-0039143

Structure of 221050-96-0

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General Information

  • CAS No. 221050-96-0
  • Cat. No. CS-0039143
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₂
  • Molecular Weight 173.17
  • Synonym(s) isoquinoline-7-carboxylicaci
  • SMILES C1=CC(=CC2=CN=CC=C12)C(=O)O

Description

Isoquinoline-7-carboxylic acid delivers a rigid, electron-deficient heteroaromatic scaffold ideal for constructing bioactive molecules. This bench-stable derivative features a carboxylic acid group at the C7 position, enabling direct conjugation or derivatization in medicinal chemistry campaigns. Its planar structure supports π-stacking interactions in target binding environments.

Application

Isoquinoline-7-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive heterocycles due to its inherent rigidity and defined polarity. The carboxylic acid group facilitates straightforward derivatization—via amide coupling, esterification, or activation for nucleophilic substitution—while the isoquinoline core provides a stable scaffold for structure-activity studies. Bench-stable and compatible with standard purification methods, it functions effectively in multi-step syntheses targeting alkaloid analogs and kinase inhibitors.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   1.933
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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