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CS-W001157 4
Total: USD 88.00

7-Methoxy-6-nitroquinazolin-4(3H)-one

  • CAS No. 1012057-47-4

  • Cat. No. CS-0098077
  • Purity≥95%
  • MDL No.None

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

7-Methoxy-6-nitroquinazolin-4(3H)-one|CS-0098077

Structure of 1012057-47-4

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General Information

  • CAS No. 1012057-47-4
  • Cat. No. CS-0098077
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃O₄
  • Molecular Weight 221.17
  • Synonym(s) 7-methoxy-6-nitro-4(3H)-Quinazolinone
  • SMILES O=C1NC=NC2=C1C=C(C(OC)=C2)[N+]([O-])=O

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      7-Chloro-6-nitroquinazolin-4(3H)-one|CS-W014214
      53449-14-2
    • ~96%
    • In-stock
      7-Methoxy-6-nitroquinazolin-4(3H)-one|CS-0098077
      1012057-47-4

    References

    • Bridges; Zhou; Cody; Rewcastle; McMichael; Showalter; Fry; Kraker; Denny Journal of Medicinal Chemistry, 1996 , vol. 39, # 1 p. 267 - 276
  • Route2

    References

    • Cai, Xiong; Qian, Changgeng; Zhai, Haixiao Patent: US2009/76022 A1, 2009 ; Location in patent: Page/Page column 74 ; US 20090076022 A1
  • Route3
    • null|null
      67-56-1
    • In-stock
      7-Fluoro-6-nitroquinazolin-4(3H)-one|CS-B0788
      162012-69-3
    • ~%
    • In-stock
      7-Methoxy-6-nitroquinazolin-4(3H)-one|CS-0098077
      1012057-47-4

    References

    • HUTCHISON MEDIPHARMA LIMITED; ZHANG, Weihan; SU, Wei-Guo; YANG, Haibin; CUI, Yumin; REN, Yongxin; YAN, Xiaoqiang Patent: WO2012/356 A1, 2012 ; Location in patent: Page/Page column 12 ; WO 2012/000356 A1

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-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   98.12
  • LogP   0.8399
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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