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CS-W001157 4
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7-(2-chloro-5-methoxyphenyl)-5-methylbenzo[e][1,2,4]triazin-3-amine

  • CAS No. 867330-72-1

  • Cat. No. CS-0006701
  • Molecule weight300.74
  • Purity≥98%
  • MDL No.MFCD12024680

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

7-(2-chloro-5-methoxyphenyl)-5-methylbenzo[e][1,2,4]triazin-3-amine|CS-0006701

Structure of 867330-72-1

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General Information

  • CAS No. 867330-72-1
  • Cat. No. CS-0006701
  • Purity ≥98%
  • MDL No. MFCD12024680
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₃ClN₄O
  • Molecular Weight 300.74
  • Synonym(s) 7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazine-3-ylamine
  • SMILES NC1=NC2=C(C)C=C(C3=CC(OC)=CC=C3Cl)C=C2N=N1

Synthesis

  • Route1

    References

    • Palanki, Moorthy S. S.; Akiyama, Hideo; Campochiaro, Peter; Cao, Jianguo; Chow, Chun P.; Dellamary, Luis; Doukas, John; Fine, Richard; Gritzen, Colleen; Hood, John D.; Hu, Steven; Kachi, Shu; Kang, Xinshan; Klebansky, Boris; Kousba, Ahmed; Lohse, Dan; Chi, Ching Mak; Martin, Michael; McPherson, Andrew; Pathak, Ved P.; Renick, Joel; Soll, Richard; Umeda, Naoyasu; Yee, Shiyin; Yokoi, Katsutoshi; Zeng, Binqi; Zhu, Hong; Noronha, Glenn Journal of Medicinal Chemistry, 2008 , vol. 51, # 6 p. 1546 - 1559
  • Route2
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    • 7-(2-chloro-5-methoxyphenyl)-5-methylbenzo[e][1,2,4]triazin-3-amine|CS-0006701
      867330-72-1

    References

    • Noronha, Glenn; Barrett, Kathy; Boccia, Antonio; Brodhag, Tessa; Cao, Jianguo; Chow, Chun P.; Dneprovskaia, Elena; Doukas, John; Fine, Richard; Gong, Xianchang; Gritzen, Colleen; Gu, Hong; Hanna, Ehab; Hood, John D.; Hu, Steven; Kang, Xinshan; Key, Jann; Klebansky, Boris; Kousba, Ahmed; Li, Ge; Lohse, Dan; Mak, Chi Ching; McPherson, Andrew; Palanki, Moorthy S.S.; Pathak, Ved P.; Renick, Joel; Shi, Feng; Soll, Richard; Splittgerber, Ute; Stoughton, Silva; Tang, Suhan; Yee, Shiyin; Zeng, Binqi; Zhao, Ningning; Zhu, Hong Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 3 p. 602 - 608
  • Route3

    References

    • Noronha, Glenn; Barrett, Kathy; Boccia, Antonio; Brodhag, Tessa; Cao, Jianguo; Chow, Chun P.; Dneprovskaia, Elena; Doukas, John; Fine, Richard; Gong, Xianchang; Gritzen, Colleen; Gu, Hong; Hanna, Ehab; Hood, John D.; Hu, Steven; Kang, Xinshan; Key, Jann; Klebansky, Boris; Kousba, Ahmed; Li, Ge; Lohse, Dan; Mak, Chi Ching; McPherson, Andrew; Palanki, Moorthy S.S.; Pathak, Ved P.; Renick, Joel; Shi, Feng; Soll, Richard; Splittgerber, Ute; Stoughton, Silva; Tang, Suhan; Yee, Shiyin; Zeng, Binqi; Zhao, Ningning; Zhu, Hong Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 3 p. 602 - 608

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   73.92
  • LogP   3.24442
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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