structure of 3-(2-Fluorobenzyl)-4-(2-fluorobenzyloxy)benzaldehyde

3-(2-Fluorobenzyl)-4-(2-fluorobenzyloxy)benzaldehyde

CAS No.: 1000370-25-1
M. Wt: 338.34700
M. Fa: C21H16F2O2
InChI Key: LOHZLOVLGLWPHZ-UHFFFAOYSA-N

Names and Identifiers of 1000370-25-1

CAS Number

1000370-25-1

IUPAC Name

4-[(2-fluorophenyl)methoxy]-3-[(2-fluorophenyl)methyl]benzaldehyde

InChI

InChI=1S/C21H16F2O2/c22-19-7-3-1-5-16(19)12-18-11-15(13-24)9-10-21(18)25-14-17-6-2-4-8-20(17)23/h1-11,13H,12,14H2

InChIKey

LOHZLOVLGLWPHZ-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C(=C1)CC2=C(C=CC(=C2)C=O)OCC3=CC=CC=C3F)F

Physical and chemical properties of 1000370-25-1

Exact Mass

338.11200

LogP

4.94710

Molecular Formula

C21H16F2O2

Molecular Weight

338.34700

PSA

26.30000

Applications of 1000370-25-1

3-(2-Fluorobenzyl)-4-(2-fluorobenzyloxy)benzaldehyde has several applications across various fields:

  • Chemistry: Used as an intermediate in the synthesis of more complex organic molecules.
  • Medicine: Investigated for its potential use in developing pharmaceuticals, particularly those targeting specific molecular pathways.
  • Industry: Employed in producing specialty chemicals and materials with unique properties.

Interaction Studies of 1000370-25-1

Interaction studies involving 3-(2-Fluorobenzyl)-4-(2-fluorobenzyloxy)benzaldehyde reveal its potential as a pharmacological agent. Its ability to inhibit cytochrome P450 enzymes suggests implications for drug-drug interactions and metabolic pathways. Understanding these interactions is crucial for evaluating its safety and efficacy in therapeutic contexts.

Biological Activity of 1000370-25-1

Research indicates that 3-(2-Fluorobenzyl)-4-(2-fluorobenzyloxy)benzaldehyde exhibits notable biological activity. Its unique structure allows it to interact with various molecular targets, potentially modulating enzyme activities or receptor functions. The fluorine atoms enhance its binding affinity and selectivity towards specific biological targets, making it a candidate for pharmaceutical development. Additionally, studies suggest that this compound may inhibit certain cytochrome P450 enzymes, which are crucial in drug metabolism.

Retrosynthesis analysis of 1000370-25-1

  • Route#1

    Cas:123-08-0
    Cas:345-35-7
    Cas:1000370-25-1