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CS-W001157 4
Total: USD 88.00

(7a,17b)-7-(9-((4,4,5,5,5-Pentafluoropentyl)thio)nonyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate

  • CAS No. 875573-69-6

  • Cat. No. CS-0011398
  • Purity≥98%
  • MDL No.MFCD18071517

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

(7a,17b)-7-(9-((4,4,5,5,5-Pentafluoropentyl)thio)nonyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate|CS-0011398

Structure of 875573-69-6

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General Information

  • CAS No. 875573-69-6
  • Cat. No. CS-0011398
  • Purity ≥98%
  • MDL No. MFCD18071517
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₄H₄₉F₅O₃S
  • Molecular Weight 632.81
  • Synonym(s) (7α,17β)-7-[9-(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estra-1,3,5(10)-triene-3-diol-17oxyethyl
  • SMILES C[C@@]12[C@](CC[C@@H]2OC(C)=O)([H])[C@]3([H])[C@@H](CC4=CC(O)=CC=C4[C@@]3([H])CC1)CCCCCCCCCSCCCC(F)(F)C(F)(F)F

Synthesis

  • Route1
    • (7a,17b)-7-(9-Bromononyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate|CS-0011477
      875573-66-3
    • null|null
      148757-88-4
    • ~%
    • In-stock
      (7a,17b)-7-(9-((4,4,5,5,5-Pentafluoropentyl)thio)nonyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate|CS-0011398
      875573-69-6

    References

    • US2006/30552 A1, ; Page/Page column 25 ;
  • Route2
    • (7a,17b)-7-(9-Bromononyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate|CS-0011477
      875573-66-3
    • null|null
      148757-88-4
    • ~%
    • In-stock
      (7a,17b)-7-(9-((4,4,5,5,5-Pentafluoropentyl)thio)nonyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate|CS-0011398
      875573-69-6

    References

    • MacDonald, Peter Lindsay; Bigatti, Ettore; Rossetto, Pierluigi Patent: US2006/30552 A1, 2006 ; Location in patent: Page/Page column 25 ;

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-H320-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   46.53
  • LogP   10.2379
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   15

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