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CS-W001157 4
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5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

  • CAS No. 2503-56-2

  • Cat. No. CS-0081100
  • Purity≥98%
  • MDL No.MFCD00005555

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

5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol|CS-0081100

Structure of 2503-56-2

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General Information

  • CAS No. 2503-56-2
  • Cat. No. CS-0081100
  • Purity ≥98%
  • MDL No. MFCD00005555
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₄O
  • Molecular Weight 150.14
  • Synonym(s) 7-Hydroxy-5-methyl-1,3,4-triazaindolizine
  • SMILES CC1=NC2=NC=NN2C(O)=C1

Description

A non-zwitterionic buffer (Absorbance: 2O) that is useful near physiological pH (6.3-9.5). Has a pKa of 6.8 at 25C.

Synthesis

  • Route1

    References

    • BIOCRYST PHARMACEUTICALS, INC.; BABU, Yarlagadda, S.; CHAND, Pooran; KOTIAN, Pravin, L.; KUMAR, V., Satish Patent: WO2010/14930 A2, 2010 ; Location in patent: Page/Page column 51-52 ; WO 2010/014930 A2
  • Route2

    References

    • Gujjar, Ramesh; Marwaha, Alka; Mazouni, Farah El; White, John; White, Karen L.; Creason, Sharon; Shackleford, David M.; Baldwin, Jeffrey; Charman, William N.; Buckner, Frederick S.; Charman, Susan; Rathod, Pradipsinh K.; Phillips, Margaret A. Journal of Medicinal Chemistry, 2009 , vol. 52, # 7 p. 1864 - 1872

Safety Information

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

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Computational Chemistry Data

  • TPSA   63.31
  • LogP   0.13832
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   0

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