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CS-W001157 4
Total: USD 88.00

1,4-Oxazepane

  • CAS No. 5638-60-8

  • Cat. No. CS-0171615
  • Purity≥96%
  • MDL No.MFCD09971804

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

1,4-Oxazepane|CS-0171615

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General Information

  • CAS No. 5638-60-8
  • Cat. No. CS-0171615
  • Purity ≥96%
  • MDL No. MFCD09971804
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₁NO
  • Molecular Weight 101.15
  • Synonym(s) 1,4-oxazepane(SALTDATA
  • SMILES C1CNCCOC1

Description

1,4-Oxazepane is a seven-membered heterocyclic compound featuring oxygen and nitrogen atoms at positions 1 and 4. This scaffold exhibits enhanced metabolic stability compared to smaller analogs, enabling its use in bioactive molecule design. The ring’s conformational flexibility supports diverse molecular interactions, making it valuable in medicinal chemistry applications where modulated solubility and target engagement are critical.

Application

1,4-Oxazepane serves as a versatile heterocyclic scaffold in medicinal chemistry, offering a balanced combination of metabolic stability and hydrogen-bonding capacity. Its seven-membered ring with nitrogen and oxygen atoms enables predictable conformational behavior and facilitates incorporation into bioactive molecules. The ring functions as a key building block for modulating solubility and target engagement in drug discovery programs. It exhibits robust bench stability and compatibility with standard synthetic transformations, including reductive amination and functional group interconversions.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS05
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H318-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P260-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P332+P313-P362+P364-P370+P378-P403+P233-P403+P235-P405-P501

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Computational Chemistry Data

  • TPSA   21.26
  • LogP   -0.0037
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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