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CS-W001157 4
Total: USD 88.00

Oxcarbazepine impurity 1

  • CAS No. 4698-11-7

  • Cat. No. CS-W013089
  • Molecule weight223.27
  • Purity≥98%
  • MDL No.MFCD00101079

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

Oxcarbazepine impurity 1|CS-W013089

Structure of 4698-11-7

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General Information

  • CAS No. 4698-11-7
  • Cat. No. CS-W013089
  • Purity ≥98%
  • MDL No. MFCD00101079
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₃NO
  • Molecular Weight 223.27
  • Synonym(s) None
  • SMILES COC1=CC2=C(NC3=C1C=CC=C3)C=CC=C2

Description

10-Methoxy-5H-dibenzo[b,f]azepine features a rigid, polycyclic scaffold with a methoxy group at the 10-position, enhancing solubility and electronic modulation. This electron-rich heterocycle serves as a core motif in bioactive molecule design, particularly for CNS-targeted compounds. The structure combines planarity with moderate polarity, enabling efficient integration into drug discovery scaffolds.

Application

10-Methoxy-5H-dibenzo[b,f]azepine serves as a versatile heterocyclic scaffold in medicinal chemistry, offering a rigid, planar structure with moderate lipophilicity and enhanced metabolic stability. The methoxy group at the 10-position provides favorable electronic modulation and improves solubility, facilitating downstream functionalization via palladium-catalyzed cross-coupling reactions. Its robust bench stability and compatibility with standard synthetic protocols make it a practical building block for CNS-targeted drug discovery and API development.

Synthesis

  • Route1
    • null|null
      353497-37-7
    • ~95%
    • In-stock
      Oxcarbazepine impurity 1|CS-W013089
      4698-11-7

    References

    • Tetrahedron Letters, , vol. 45, # 27 p. 5275 - 5278
  • Route2
    • null|null
      731851-94-8
    • ~98%
    • In-stock
      Oxcarbazepine impurity 1|CS-W013089
      4698-11-7

    References

    • Tetrahedron Letters, , vol. 45, # 27 p. 5275 - 5278
  • Route3
    • 1-(10-Methoxy-5H-dibenzo[b,f]azepin-5-yl)ethanone|CS-0733020
      153261-62-2
    • ~82%
    • In-stock
      Oxcarbazepine impurity 1|CS-W013089
      4698-11-7

    References

    • Synthetic Communications, , vol. 24, # 5 p. 683 - 687

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   21.26
  • LogP   3.8881
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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