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CS-W001157 4
Total: USD 88.00

Isoxepac

  • CAS No. 55453-87-7

  • Cat. No. CS-0031651
  • Purity≥98%
  • MDL No.MFCD00242952

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

Isoxepac|CS-0031651

Structure of 55453-87-7

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General Information

  • CAS No. 55453-87-7
  • Cat. No. CS-0031651
  • Purity ≥98%
  • MDL No. MFCD00242952
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₂O₄
  • Molecular Weight 268.27
  • Synonym(s) HP 549
  • SMILES O=C(O)CC1=CC=C(C2=C1)OCC3=CC=CC=C3C2=O

Description

Isoxepac is a bench-stable, moisture-tolerant heterocyclic scaffold featuring a fused isoxazole ring system. This rigid, electron-deficient core integrates readily into bioactive molecules, enabling efficient access to pharmaceutical intermediates and functional materials through robust coupling reactions under standard conditions.

Synthesis

  • Route1

    References

    • EP2072507 A1, ; Page/Page column 10-11 ;
  • Route2
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      69031-39-6
    • ~%
    • In-stock
      Isoxepac|CS-0031651
      55453-87-7

    References

    • US4118401 A1, ;
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 39, # 1 p. 246 - 252

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   2.4371
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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