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Methyl2-azabicyclo[2.1.1]hexane-5-carboxylate;hydrochloride

  • CAS No. 1824260-58-3

  • Cat. No. CS-0310154
  • Purity≥95%
  • MDL No.MFCD24509006

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

Methyl2-azabicyclo[2.1.1]hexane-5-carboxylate;hydrochloride|CS-0310154

Structure of 1824260-58-3

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General Information

  • CAS No. 1824260-58-3
  • Cat. No. CS-0310154
  • Purity ≥95%
  • MDL No. MFCD24509006
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂ClNO₂
  • Molecular Weight 177.63
  • Synonym(s) Methyl 2-azabicyclo[2.1.1]hexane-5-carboxylate hydrochloride
  • SMILES COC(C1C2CC1CN2)=O.Cl

Description

Methyl 2-azabicyclo[2.1.1]hexane-5-carboxylate hydrochloride offers a rigid, conformationally constrained scaffold ideal for medicinal chemistry optimization. The hydrochloride salt enhances solubility and stability, enabling efficient incorporation into target-focused libraries. This bicyclic core delivers predictable spatial orientation of functional groups, streamlining structure-activity relationship studies.

Application

Methyl 2-azabicyclo[2.1.1]hexane-5-carboxylate hydrochloride serves as a conformationally constrained building block for medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard functional group manipulations. The bicyclic scaffold offers defined spatial orientation, enhancing target selectivity in CNS-penetrant compounds. Bench-stable and readily purified, it facilitates efficient coupling reactions and side-chain elaboration under mild conditions.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   0.1891
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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