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CAS 137234-63-0

:

(αS,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

Description:
The chemical substance known as (αS,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol, with the CAS number 137234-63-0, is a synthetic organic compound characterized by its complex molecular structure, which includes a pyrimidine and triazole moiety. This compound exhibits specific stereochemistry, indicated by the (αS,βR) designation, which suggests the presence of chiral centers that can influence its biological activity and pharmacological properties. The presence of fluorine atoms in the difluorophenyl and fluoro groups can enhance lipophilicity and metabolic stability, potentially affecting its interaction with biological targets. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential activity against specific biological pathways or diseases. Its solubility, stability, and reactivity would depend on the functional groups present and the overall molecular conformation, making it a candidate for further investigation in drug development and related fields.
Formula:C16H14F3N5O
InChI:InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m1/s1
InChI key:InChIKey=BCEHBSKCWLPMDN-HWPZZCPQSA-N
SMILES:[C@]([C@H](C)C=1C(F)=CN=CN1)(CN2C=NC=N2)(O)C3=C(F)C=C(F)C=C3
Synonyms:
  • 4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, [S-(R*,S*)]-
  • 4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αS,βR)-
  • (αS,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
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