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CS-W001157 4
Total: USD 88.00

(E)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1,2-dihydrocyclopenta[b]indol-3(4H)-ylidene)acetic acid

  • CAS No. 866215-99-8

  • Cat. No. CS-M1926
  • Molecule weight433.88
  • Purity≥98%
  • MDL No.MFCD22124622

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

(E)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1,2-dihydrocyclopenta[b]indol-3(4H)-ylidene)acetic acid|CS-M1926

Structure of 866215-99-8

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General Information

  • CAS No. 866215-99-8
  • Cat. No. CS-M1926
  • Purity ≥98%
  • MDL No. MFCD22124622
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₁H₁₇ClFNO₄S
  • Molecular Weight 433.88
  • Synonym(s) (2E)-[4-[(4-Chlorophenyl)methyl]-7-fluoro-1,4-dihydro-5-(methylsulfonyl)cyclopent[b]indol-3(2H)-ylidene]acetic acid
  • SMILES O=S(C1=C(C2=CC(F)=C1)N(CC3=CC=C(Cl)C=C3)C4=C2CC/C4=C\C(O)=O)(C)=O

Synthesis

  • Route1
    • null|null
      923580-09-0
    • ~%
    • (E)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1,2-dihydrocyclopenta[b]indol-3(4H)-ylidene)acetic acid|CS-M1926
      866215-99-8

    References

    • Tellers, David M.; McWilliams, J. Christopher; Humphrey, Guy; Journet, Michel; DiMichele, Lisa; Hinksmon, Joseph; McKeown, Arlene E.; Rosner, Thorsten; Sun, Yongkui; Tillyer, Richard D. Journal of the American Chemical Society, 2006 , vol. 128, # 51 p. 17063 - 17073
  • Route2
    • null|null
      1206547-75-2
    • null|null
      1170219-90-5
    • ~%
    • (E)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1,2-dihydrocyclopenta[b]indol-3(4H)-ylidene)acetic acid|CS-M1926
      866215-99-8

    References

    • Tellers, David M.; Humphrey, Guy R. Patent: US2005/222428 A1, 2005 ; Location in patent: Page/Page column 5-7 ;

Safety Information

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Computational Chemistry Data

  • TPSA   76.37
  • LogP   4.2998
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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