2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy)biphenyl-3-carbaldehyde
CAS No.:
1000413-84-2
M. Wt:
346.44100
M. Fa:
C19H22O4S
InChI Key:
DRHXNWOFLLDTSB-UHFFFAOYSA-N
Names and Identifiers of 1000413-84-2
CAS Number |
1000413-84-2 |
|---|---|
MDL Number |
MFCD22124595 |
IUPAC Name |
3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]benzaldehyde |
InChI |
InChI=1S/C19H22O4S/c1-14-10-18(23-8-5-9-24(3,21)22)11-15(2)19(14)17-7-4-6-16(12-17)13-20/h4,6-7,10-13H,5,8-9H2,1-3H3 |
InChIKey |
DRHXNWOFLLDTSB-UHFFFAOYSA-N |
Canonical SMILES |
CC1=CC(=CC(=C1C2=CC=CC(=C2)C=O)C)OCCCS(=O)(=O)C |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000413-84-2
Boiling Point |
558.0±50.0 °C(Predicted) |
|---|---|
Density |
1.180±0.06 g/cm3(Predicted) |
Exact Mass |
346.12400 |
LogP |
4.67720 |
Molecular Formula |
C19H22O4S |
Molecular Weight |
346.44100 |
PSA |
68.82000 |
Safety Information of 1000413-84-2
Applications of 1000413-84-2
The applications of 2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy)biphenyl-3-carbaldehyde are diverse:
- Pharmaceutical Industry: Due to its potential biological activities, it may serve as a lead compound in drug development.
- Organic Synthesis: It can act as an intermediate in synthesizing more complex organic molecules.
- Material Science: Its unique structure may provide insights into developing new materials with specific properties.
Interaction Studies of 1000413-84-2
Interaction studies involving 2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy)biphenyl-3-carbaldehyde focus on its binding affinity with various biological targets, particularly enzymes and receptors. Such studies can elucidate its mechanism of action and help identify potential therapeutic uses. For instance, compounds with similar structures have been shown to inhibit cytochrome P450 enzymes, which are crucial for drug metabolism.
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