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CS-W001157 4
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3-(2-Chloro-5-methylpyrimidin-4-yl)-1H-indole

  • CAS No. 945016-62-6

  • Cat. No. CS-0462354
  • Molecule weight243.69
  • Purity≥98%
  • MDL No.MFCD17392836

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

3-(2-Chloro-5-methylpyrimidin-4-yl)-1H-indole|CS-0462354

Structure of 945016-62-6

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General Information

  • CAS No. 945016-62-6
  • Cat. No. CS-0462354
  • Purity ≥98%
  • MDL No. MFCD17392836
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀ClN₃
  • Molecular Weight 243.69
  • Synonym(s) None
  • SMILES CC1=CN=C(Cl)N=C1C2=CNC3=CC=CC=C23

Synthesis

  • Route1

    References

    • ASTRAZENECA AB Patent: US2012/28924 A1, 2012 ; Location in patent: Page/Page column 24 ; US 20120028924 A1
  • Route2

    References

    • Alam, Mahbub; Beevers, Rebekah E.; Ceska, Tom; Davenport, Richard J.; Dickson, Karen M.; Fortunato, Mara; Gowers, Lewis; Haughan, Alan F.; James, Lynwen A.; Jones, Mark W.; Kinsella, Natasha; Lowe, Christopher; Meissner, Johannes W.G.; Nicolas, Anne-Lise; Perry, Benjamin G.; Phillips, David J.; Pitt, William R.; Platt, Adam; Ratcliffe, Andrew J.; Sharpe, Andrew; Tait, Laura J. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 12 p. 3463 - 3467
  • Route3

    References

    • Alam, Mahbub; Beevers, Rebekah E.; Ceska, Tom; Davenport, Richard J.; Dickson, Karen M.; Fortunato, Mara; Gowers, Lewis; Haughan, Alan F.; James, Lynwen A.; Jones, Mark W.; Kinsella, Natasha; Lowe, Christopher; Meissner, Johannes W.G.; Nicolas, Anne-Lise; Perry, Benjamin G.; Phillips, David J.; Pitt, William R.; Platt, Adam; Ratcliffe, Andrew J.; Sharpe, Andrew; Tait, Laura J. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 12 p. 3463 - 3467

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   3.58672
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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