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CS-W001157 4
Total: USD 88.00

(Rac)-CPI-098

  • CAS No. 3967-01-9

  • Cat. No. CS-0033862
  • Molecule weight176.22
  • Purity≥98%
  • MDL No.MFCD00024148

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

(Rac)-CPI-098|CS-0033862

Structure of 3967-01-9

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General Information

  • CAS No. 3967-01-9
  • Cat. No. CS-0033862
  • Purity ≥98%
  • MDL No. MFCD00024148
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O
  • Molecular Weight 176.22
  • Synonym(s) None
  • SMILES O=C1NC2=CC=CC=C2NC(C)C1

Synthesis

  • Route1
    • null|null
      1407835-19-1
    • ~40%
    • (Rac)-CPI-098|CS-0033862
      3967-01-9

    References

    • CONSTELLATION PHARMACEUTICALS, INC.; ALBRECHT, Brian, K.; GEHLING, Victor, S.; HEWITT, Michael, C.; TAYLOR, Alexander, M.; HARMANGE, Jean-Christophe Patent: WO2012/151512 A2, 2012 ; Location in patent: Page/Page column 178 ;
  • Route2
    • null|null
      3724-65-0
    • null|null
      95-54-5
    • ~90%
    • (Rac)-CPI-098|CS-0033862
      3967-01-9

    References

    • Kidwai; Ruby; Venkataramanan Chemistry of Heterocyclic Compounds, 2004 , vol. 40, # 5 p. 631 - 634
  • Route3
    • null|null
      55889-32-2
    • null|null
      95-54-5
    • ~80%
    • (Rac)-CPI-098|CS-0033862
      3967-01-9

    References

    • Wang, Xiaoxia; Li, Zhifang; Zhu, Xiangming; Mao, Hui; Zou, Xuefei; Kong, Lichun; Li, Xinsheng Tetrahedron, 2008 , vol. 64, # 27 p. 6510 - 6521

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.13
  • LogP   1.8292
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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