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(3aS,8aR)-2-(isoquinolin-1-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole

  • CAS No. 2222863-66-1

  • Cat. No. CS-0145106
  • Purity≥97%
  • MDL No.None

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

(3aS,8aR)-2-(isoquinolin-1-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole|CS-0145106

Structure of 2222863-66-1

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General Information

  • CAS No. 2222863-66-1
  • Cat. No. CS-0145106
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₁₄N₂O
  • Molecular Weight 286.33
  • Synonym(s) (3aS,8aR)-2-(Isoquinolin-1-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole
  • SMILES C1(C2=N[C@@H](C(C=CC=C3)=C3C4)[C@@H]4O2)=NC=CC5=C1C=CC=C5

Description

This indeno[1,2-d]oxazole scaffold integrates a sterically defined isoquinoline moiety, enabling precise spatial control in bioactive molecule design. The rigid, electron-deficient framework supports high-fidelity interactions in target engagement and exhibits robust stability under standard handling conditions.

Application

(3aS,8aR)-2-(isoquinolin-1-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole serves as a rigid, polycyclic scaffold for medicinal chemistry exploration, enabling efficient access to complex heterocyclic architectures. Its defined stereochemistry and stable fused ring system facilitate predictable reactivity in functional group transformations and coupling reactions. The molecule exhibits robust bench stability and moderate solubility, supporting straightforward purification and integration into standard synthetic workflows.

Safety Information

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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   34.48
  • LogP   3.6776
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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