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

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

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

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

structure
  • CAS No:

    137234-63-0

  • Formula:

    C16H14F3N5O

  • Chemical Name:

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

  • Synonyms:

    4-Pyrimidineethanol,α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-,(αS,βR)-;4-Pyrimidineethanol,α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-,[S-(R*,S*)]-;(αS,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol;1240507-17-8

  • Categories:

    Analytical Chemistry  >  Standard

Description

White Solid

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

349.3104696

349.31

1Y58LNV43M

DTXSID60160114

2933997500

Characteristics

76.7

1.5

1.42±0.1 g/cm3(Predicted)

130-132°C

508.6±60.0 °C(Predicted)

261.4±32.9 °C

1.617

-20°C Freezer

Safety Information

NONH for all modes of transport

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

The (2S,3R) enantiomer in Voriconazole (V760000) drug substance.

Computed Properties

Molecular Weight:349.31
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:349.11504457
Monoisotopic Mass:349.11504457
Topological Polar Surface Area:76.7
Heavy Atom Count:25
Complexity:448
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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