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CS-W001157 4
Total: USD 88.00

Diflunisal

  • CAS No. 22494-42-4

  • Cat. No. CS-0007468
  • Purity≥98%
  • MDL No.MFCD00057834

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

Diflunisal|CS-0007468

Structure of 22494-42-4

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General Information

  • CAS No. 22494-42-4
  • Cat. No. CS-0007468
  • Purity ≥98%
  • MDL No. MFCD00057834
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈F₂O₃
  • Molecular Weight 250.20
  • Synonym(s) MK-647
  • SMILES O=C(C1=CC(C2=CC=C(F)C=C2F)=CC=C1O)O

Description

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standardsThese Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.

Application

Diflunisal serves as a well-established nonsteroidal anti-inflammatory agent, featuring a trifluoromethyl-substituted aryl moiety that enhances metabolic stability and membrane permeability. Its carboxylic acid functionality enables direct incorporation into prodrug strategies or conjugation workflows, while the rigid biaryl structure supports predictable conformational behavior in medicinal chemistry optimization. Functions as a validated pharmacophore scaffold for COX-1/COX-2 inhibition studies and exhibits favorable bench stability under standard handling conditions.

Synthesis

  • Route1

    References

    • DeVasher, Rebecca B.; Moore, Lucas R.; Shaughnessy, Kevin H. Journal of Organic Chemistry, 2004 , vol. 69, # 23 p. 7919 - 7927
  • Route2
    • 2',4'-Difluoro-[1,1'-biphenyl]-4-yl acetate|CS-0820808
      59089-67-7
    • ~%
    • In-stock
      Diflunisal|CS-0007468
      22494-42-4

    References

    • US4131618 A1, ;
  • Route3
    • Methyl 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylate|CS-1223542
      55544-00-8
    • ~88%
    • In-stock
      Diflunisal|CS-0007468
      22494-42-4

    References

    • Kim, Seung-Hoi; Kim, Jong-Gyu Bulletin of the Korean Chemical Society, 2011 , vol. 32, # 1 p. 341 - 343

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335-H361
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   3.0356
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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