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2-Oxa-5-azabicyclo[4.1.0]heptane hydrochloride

  • CAS No. 1354952-28-5

  • Cat. No. CS-0112792
  • Purity≥97%
  • MDL No.MFCD20441759

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

2-Oxa-5-azabicyclo[4.1.0]heptane hydrochloride|CS-0112792

Structure of 1354952-28-5

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General Information

  • CAS No. 1354952-28-5
  • Cat. No. CS-0112792
  • Purity ≥97%
  • MDL No. MFCD20441759
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₀ClNO
  • Molecular Weight 135.59
  • Synonym(s) azabicyclo[4.1.0]heptane hydrochloride
  • SMILES [H]Cl.C12OCCNC1C2

Description

This bicyclic scaffold features a constrained heterocyclic core with strategic oxygen and nitrogen atoms, enabling precise spatial orientation in synthetic intermediates. The hydrochloride salt enhances solubility and stability under standard conditions, facilitating use in medicinal chemistry workflows.

Application

2-Oxa-5-azabicyclo[4.1.0]heptane hydrochloride serves as a rigid, conformationally constrained heterocyclic building block for medicinal chemistry applications. Its fused bicyclic structure imparts excellent metabolic stability and defined spatial orientation, enabling precise bioactive conformation presentation. The molecule exhibits robust bench stability, tolerates diverse functional groups, and participates reliably in nucleophilic substitution and coupling reactions, facilitating rapid access to complex scaffolds in API discovery campaigns.

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   21.26
  • LogP   0.1689
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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