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CS-W001157 4
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1-Isopropyl-4-(4-isopropylphenyl)-6-(prop-2-yn-1-ylamino)quinazolin-2(1H)-one

  • CAS No. 478963-46-1

  • Cat. No. CS-B0541
  • Purity≥96%
  • MDL No.None

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

1-Isopropyl-4-(4-isopropylphenyl)-6-(prop-2-yn-1-ylamino)quinazolin-2(1H)-one|CS-B0541

Structure of 478963-46-1

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General Information

  • CAS No. 478963-46-1
  • Cat. No. CS-B0541
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₂₅N₃O
  • Molecular Weight 359.46
  • Synonym(s) 2(1H)-Quinazolinone, 1-(1-methylethyl)-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-ylamino)-
  • SMILES C#CCNC1=CC2=C(C=C1)N(C(C)C)C(N=C2C(C=C3)=CC=C3C(C)C)=O

Synthesis

  • Route1
    • null|null
      478963-35-8
    • null|null
      106-96-7
    • ~%
    • In-stock
      1-Isopropyl-4-(4-isopropylphenyl)-6-(prop-2-yn-1-ylamino)quinazolin-2(1H)-one|CS-B0541
      478963-46-1

    References

    • Widler, Leo; Altmann, Eva; Beerli, Rene; Breitenstein, Werner; Bouhelal, Rochdi; Buhl, Thomas; Gamse, Rainer; Gerspacher, Marc; Halleux, Christine; John, Markus R.; Lehmann, Hansjoerg; Kalb, Oskar; Kneissel, Michaela; Missbach, Martin; Mueller, Irene R.; Reidemeister, Sibylle; Renaud, Johanne; Taillardat, Agnes; Tommasi, Ruben; Weiler, Sven; Wolf, Romain M.; Seuwen, Klaus Journal of Medicinal Chemistry, 2010 , vol. 53, # 5 p. 2250 - 2263

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.92
  • LogP   4.8129
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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