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2,3,4,5-Tetrahydro-1h-1,5-benzodiazepine

  • CAS No. 6516-89-8

  • Cat. No. CS-0126745
  • Purity≥95%
  • MDL No.MFCD06245443

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

2,3,4,5-Tetrahydro-1h-1,5-benzodiazepine|CS-0126745

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General Information

  • CAS No. 6516-89-8
  • Cat. No. CS-0126745
  • Purity ≥95%
  • MDL No. MFCD06245443
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂
  • Molecular Weight None
  • Synonym(s) 2,3,4,5-Tetrahydro-1H-benzo[B][1,4]diazepine
  • SMILES C12=CC=CC=C1NCCCN2

Description

2,3,4,5-Tetrahydro-1H-1,5-benzodiazepine delivers a rigid, electron-rich scaffold ideal for medicinal chemistry applications. This bench-stable heterocycle integrates readily into bioactive molecule design, offering predictable conformational behavior and enhanced solubility compared to fully aromatic analogs.

Application

2,3,4,5-Tetrahydro-1H-1,5-benzodiazepine serves as a core scaffold in medicinal chemistry, enabling the synthesis of bioactive compounds through established functionalization at the 1- and 5-positions. Its stable, saturated ring system offers enhanced metabolic resilience and favorable pharmacokinetic profiles. The molecule functions effectively in standard coupling reactions and facilitates the construction of heterocyclic derivatives relevant to CNS-targeted therapeutics.

Safety Information

Download SDS
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 : P264-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   24.06
  • LogP   1.9141
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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