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CS-W001157 4
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Octahydroisoindole

  • CAS No. 21850-12-4

  • Cat. No. CS-W018719
  • Molecule weight125.21
  • Purity≥95%
  • MDL No.MFCD03265253

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

Octahydroisoindole|CS-W018719

Structure of 21850-12-4

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General Information

  • CAS No. 21850-12-4
  • Cat. No. CS-W018719
  • Purity ≥95%
  • MDL No. MFCD03265253
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₅N
  • Molecular Weight 125.21
  • Synonym(s) Octahydro-1H-isoindole; Perhydroisoindole; Hexahydroisoindoline
  • SMILES C12CNCC1CCCC2

Description

Octahydroisoindole delivers a saturated, nitrogen-containing heterocyclic scaffold ideal for medicinal chemistry applications. This bench-stable, electron-rich core integrates readily into bioactive molecule design, offering enhanced solubility and metabolic stability compared to aromatic analogs.

Application

Octahydroisoindole serves as a stable, saturated heterocyclic scaffold widely employed in medicinal chemistry for its conformational rigidity and favorable pharmacokinetic profile. It functions as a key building block in the synthesis of bioactive molecules, particularly in CNS-targeted therapeutics, due to its ability to modulate molecular polarity and enhance metabolic stability. The ring system enables selective functionalization at nitrogen and aliphatic positions, facilitating diverse downstream transformations. Its bench-stable nature and compatibility with standard coupling and reduction protocols make it a practical choice for multi-step syntheses.

Synthesis

  • Route1

    References

    • WO2011/80264 A1, ; Page/Page column 26-27 ;
  • Route2

    References

    • US5618812 A1, ;
  • Route3

    References

    • WO2011/80264 A1, ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   1.396
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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