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CS-W001157 4
Total: USD 88.00

Ethyl 2-(4-(4-(2-bromo-2-methylpropanoyl)phenyl)cyclohexyl)acetate

  • CAS No. 701232-18-0

  • Cat. No. CS-B0338
  • Molecule weight395.33
  • Purity≥95%
  • MDL No.None

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

Ethyl 2-(4-(4-(2-bromo-2-methylpropanoyl)phenyl)cyclohexyl)acetate|CS-B0338

Structure of 701232-18-0

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General Information

  • CAS No. 701232-18-0
  • Cat. No. CS-B0338
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₇BrO₃
  • Molecular Weight 395.33
  • Synonym(s) Ethyl 2-(4-(4-(2-bromo-2-methylpropanoyl)-phenyl)cyclohexyl)acetate
  • SMILES O=C(C(C=C1)=CC=C1C(CC2)CCC2CC(OCC)=O)C(C)(C)Br

Synthesis

  • Route1

    References

    • Fox, Brian M.; Sugimoto, Kazuyuki; Iio, Kiyosei; Yoshida, Atsuhito; Zhang, Jian; Li, Kexue; Hao, Xiaolin; Labelle, Marc; Smith, Marie-Louise; Rubenstein, Steven M.; Ye, Guosen; McMinn, Dustin; Jackson, Simon; Choi, Rebekah; Shan, Bei; Ma, Ji; Miao, Shichang; Matsui, Takuya; Ogawa, Nobuya; Suzuki, Masahiro; Kobayashi, Akio; Ozeki, Hidekazu; Okuma, Chihiro; Ishii, Yukihito; Tomimoto, Daisuke; Furakawa, Noboru; Tanaka, Masahiro; Matsushita, Mutsuyoshi; Takahashi, Mitsuru; Inaba, Takashi; Sagawa, Shoichi; Kayser, Frank Journal of Medicinal Chemistry, 2014 , vol. 57, # 8 p. 3464 - 3483
  • Route2

    References

    • Fox, Brian M.; Sugimoto, Kazuyuki; Iio, Kiyosei; Yoshida, Atsuhito; Zhang, Jian; Li, Kexue; Hao, Xiaolin; Labelle, Marc; Smith, Marie-Louise; Rubenstein, Steven M.; Ye, Guosen; McMinn, Dustin; Jackson, Simon; Choi, Rebekah; Shan, Bei; Ma, Ji; Miao, Shichang; Matsui, Takuya; Ogawa, Nobuya; Suzuki, Masahiro; Kobayashi, Akio; Ozeki, Hidekazu; Okuma, Chihiro; Ishii, Yukihito; Tomimoto, Daisuke; Furakawa, Noboru; Tanaka, Masahiro; Matsushita, Mutsuyoshi; Takahashi, Mitsuru; Inaba, Takashi; Sagawa, Shoichi; Kayser, Frank Journal of Medicinal Chemistry, 2014 , vol. 57, # 8 p. 3464 - 3483

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   5.2698
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   6

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