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CS-W001157 4
Total: USD 88.00

2-Azabicyclo[2.2.2]octane hydrochloride

  • CAS No. 5845-15-8

  • Cat. No. CS-0052039
  • Purity≥97%
  • MDL No.MFCD19159806

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

2-Azabicyclo[2.2.2]octane hydrochloride|CS-0052039

Structure of 5845-15-8

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General Information

  • CAS No. 5845-15-8
  • Cat. No. CS-0052039
  • Purity ≥97%
  • MDL No. MFCD19159806
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄ClN
  • Molecular Weight 147.65
  • Synonym(s) None
  • SMILES C12CCC(CN2)CC1.Cl

Description

2-Azabicyclo[2.2.2]octane hydrochloride delivers a rigid, nitrogen-containing scaffold ideal for probing conformationally restricted ligands in medicinal chemistry. This bench-stable salt features enhanced solubility and predictable basicity, enabling efficient incorporation into drug discovery campaigns targeting GPCRs and ion channels.

Application

2-Azabicyclo[2.2.2]octane hydrochloride serves as a conformationally constrained nitrogen heterocycle widely employed in medicinal chemistry for scaffold rigidity and improved binding affinity. Its stable, bicyclic structure enables predictable stereochemistry and enhances metabolic stability. The hydrochloride salt form ensures excellent solubility and handling properties, facilitating use in solution-phase synthesis, parallel library generation, and solid-phase applications. Functions effectively as a key building block in the construction of bioactive molecules with defined spatial orientation.

Synthesis

  • Route1
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~%
    • In-stock
      2-Azabicyclo[2.2.2]octane hydrochloride|CS-0052039
      5845-15-8

    References

    • Yokota; Takizawa; Ohkura; Fukai; Tomiyama European Journal of Medicinal Chemistry, 1997 , vol. 32, # 5 p. 377 - 384
  • Route2

    References

    • Yokota; Takizawa; Ohkura; Fukai; Tomiyama European Journal of Medicinal Chemistry, 1997 , vol. 32, # 5 p. 377 - 384
  • Route3

    References

    • Yokota; Takizawa; Ohkura; Fukai; Tomiyama European Journal of Medicinal Chemistry, 1997 , vol. 32, # 5 p. 377 - 384

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   1.5702
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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