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CS-W001157 4
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3-(4-Bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

  • CAS No. 844499-56-5

  • Cat. No. CS-M0702
  • Purity≥98%
  • MDL No.MFCD12032115

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

3-(4-Bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile|CS-M0702

Structure of 844499-56-5

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General Information

  • CAS No. 844499-56-5
  • Cat. No. CS-M0702
  • Purity ≥98%
  • MDL No. MFCD12032115
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₇BrN₂O₂S
  • Molecular Weight 347.19
  • Synonym(s) None
  • SMILES N#CC1=C(O)C(C(C2=CC=C(Br)C=C2)=CS3)=C3NC1=O

Synthesis

  • Route1
    • Ethyl 4-(4-bromophenyl)-2-(2-cyanoacetamido)thiophene-3-carboxylate|CS-0315840
      546064-73-7
    • ~80%
    • 3-(4-Bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile|CS-M0702
      844499-56-5

    References

    • Zhao, Gang; Iyengar, Rajesh R.; Judd, Andrew S.; Cool, Barbara; Chiou, William; Kifle, Lemma; Frevert, Ernst; Sham, Hing; Kym, Philip R. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 12 p. 3254 - 3257
  • Route2

    References

    • Zhao, Gang; Iyengar, Rajesh R.; Judd, Andrew S.; Cool, Barbara; Chiou, William; Kifle, Lemma; Frevert, Ernst; Sham, Hing; Kym, Philip R. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 12 p. 3254 - 3257
  • Route3

    References

    • Zhao, Gang; Iyengar, Rajesh R.; Judd, Andrew S.; Cool, Barbara; Chiou, William; Kifle, Lemma; Frevert, Ernst; Sham, Hing; Kym, Philip R. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 12 p. 3254 - 3257

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   76.88
  • LogP   3.59638
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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