rel-5-[(1R,2R,3S,5S)-3-(4-Fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-yl]-3-methylisoxazole

CAS Registry Number®

1266655-36-0

CAS Name

rel-5-[(1R,2R,3S,5S)-3-(4-Fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-yl]-3-methylisoxazole

Molecular Formula

C17H18FNOS

Molecular Mass

303.39

Cite this Page

rel-5-[(1R,2R,3S,5S)-3-(4-Fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-yl]-3-methylisoxazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1266655-36-0 (retrieved 2024-11-22) (CAS RN: 1266655-36-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    88-90 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C17H18FNOS/c1-10-8-15(20-19-10)17-14(9-13-6-7-16(17)21-13)11-2-4-12(18)5-3-11/h2-5,8,13-14,16-17H,6-7,9H2,1H3/t13-,14+,16+,17+/s2

InChIKey

InChIKey=LXAGRMZFEDEAAM-BVQIUQRSNA-N

SMILES

CC=1C=C([C@H]2[C@H](C[C@]3(S[C@@]2(CC3)[H])[H])C4=CC=C(F)C=C4)ON1

Canonical SMILES

FC1=CC=C(C=C1)C2CC3SC(CC3)C2C=4ON=C(C4)C

Other Names for this Substance

  • Isoxazole, 5-[(1R,2R,3S,5S)-3-(4-fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-yl]-3-methyl-, rel-
  • rel-5-[(1R,2R,3S,5S)-3-(4-Fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-yl]-3-methylisoxazole

CAS INSIGHTSTM
Targeted protein degrader structure, illustration