CAS 164650-45-7

(αS,βS)-α-(2,4-Difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol

Description:

The chemical substance known as "(αS,βS)-α-(2,4-Difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol," with the CAS number 164650-45-7, is a complex organic compound characterized by its specific stereochemistry and functional groups. It features a piperidine ring, which is a six-membered nitrogen-containing heterocycle, and incorporates a triazole moiety, indicating potential biological activity, particularly in pharmaceutical applications. The presence of difluorophenyl and methylene groups suggests that the compound may exhibit unique electronic properties and lipophilicity, influencing its interaction with biological targets. The stereochemical configuration (αS, βS) implies that the compound has specific spatial arrangements that can significantly affect its pharmacodynamics and pharmacokinetics. Such compounds are often investigated for their potential as therapeutic agents, particularly in areas like antifungal or antimicrobial research, due to the presence of the triazole group. Overall, this substance represents a class of compounds that may have significant implications in medicinal chemistry.

Formula: C₁₈H₂₂F₂N₄O

InChI: InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m0/s1

InChI key: InChIKey=NFEZZTICAUWDHU-KSSFIOAISA-N

SMILES: [C@]([C@H](C)N1CCC(=C)CC1)(CN2C=NC=N2)(O)C3=C(F)C=C(F)C=C3

Synonyms:

• 1-Piperidineethanol, α-(2,4-difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-, [S-(R*,R*)]-
• 2S,3S-Efinaconazole
• 1-Piperidineethanol, α-(2,4-difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αS,βS)-
• (2S,3S)-2-(2,4-Difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(4H-1,3,4-triazol-4-yl)butan-2-ol
• (αS,βS)-α-(2,4-Difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol

S,S-Efinaconazole

CAS: 164650-45-7

Formula: C₁₈H₂₂F₂N₄O

Purity: 98%

Color and Shape: Solid

Molecular weight: 348.39028640000015

Ref: IN-DA00AO98

Efinaconazole Impurity 38

CAS: 164650-45-7

Formula: C₁₈H₂₂F₂N₄O

Color and Shape: White To Off-White Solid

Molecular weight: 348.40

Ref: 4Z-E-097004

ent-Efinaconazole

Controlled Product

CAS: 164650-45-7

Formula: C₁₈H₂₂F₂N₄O

Color and Shape: Neat

Molecular weight: 348.39

Ref: TR-E435075

Efinaconazole Enantiomer

CAS: 164650-45-7

Formula: C₁₈H₂₂F₂N₄O

Molecular weight: 348.4

Ref: ST-EA-CP-E65001