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CS-W001157 4
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1,3,8-Triazaspiro[4.5]decan-2-one

  • CAS No. 561314-52-1

  • Cat. No. CS-D0364
  • Molecule weight155.20
  • Purity≥97%
  • MDL No.MFCD17169839

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

1,3,8-Triazaspiro[4.5]decan-2-one|CS-D0364

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General Information

  • CAS No. 561314-52-1
  • Cat. No. CS-D0364
  • Purity ≥97%
  • MDL No. MFCD17169839
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃N₃O
  • Molecular Weight 155.20
  • Synonym(s) 1,3,8-triaza-spiro[4.5]decan-2-one HCL
  • SMILES O=C1NC2(CCNCC2)CN1

Description

1,3,8-Triazaspiro[4.5]decan-2-one is a rigid, nitrogen-rich spirocyclic scaffold featuring three contiguous heteroatoms within a constrained bicyclic framework. This architecture imparts high thermal stability and enhanced solubility in polar solvents, enabling its use as a privileged core in medicinal chemistry. The molecule integrates seamlessly into bioactive compound libraries, particularly for targeting protein-protein interactions where conformational rigidity improves binding affinity.

Application

1,3,8-Triazaspiro[4.5]decan-2-one serves as a versatile scaffold for medicinal chemistry and catalytic synthesis, featuring a rigid spirocyclic framework with three nitrogen atoms enabling diverse functionalization. Its stability under standard reaction conditions and compatibility with common protecting group strategies facilitate efficient access to complex heterocycles. The molecule functions as a key building block in the construction of bioactive compounds, particularly in the development of kinase inhibitors and CNS-targeted pharmaceuticals.

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   53.16
  • LogP   -0.5786
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   0

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