≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Dapaconazole, as an antifungal agent, inhibits sterol 14α-demethylase cytochrome P450 activity with an IC 50 of 1.4 μM
In Vitro
Dapaconazole inhibits sterol 14α-demethylase cytochrome P450 activity with an IC 50 of 1.4 ± 0.3 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Dapaconazole (20 mg/kg; p.o.) shows that the bioavailability is 97.3 % . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male beagle dogs Dosage: 20 mg/kg (Pharmacokinetic Analysis) Administration: P.o. Result: Showed that the bioavailability was 97.3 %.
Form:Solid
IC50& Target:CYP26 1.4 μM (IC 50 )
| Canonical Smiles | C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)C(F)(F)F |
|---|---|
| IUPAC Name | 1-[2-(2,4-dichlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]imidazole |
| InChIKey | FUAHXHWSMYFWGE-UHFFFAOYSA-N |
| INCHI | 1S/C19H15Cl2F3N2O/c20-15-5-6-16(17(21)9-15)18(10-26-8-7-25-12-26)27-11-13-1-3-14(4-2-13)19(22,23)24/h1-9,12,18H,10-11H2 |
| Isomeric SMILES | C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)C(F)(F)F |
| Alternate CAS | 1269726-67-1 |
| PubChem CID | 51001696 |
| MeSH Entry Terms | 1-(2-(2,4-dichlorophenyl)-2-(4-(trifluoromethyl)benzyloxy)ethyl)-1H-imidazole;dapaconazole |
| Molecular Weight | 415.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Benzylethers Dichlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzylether - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organofluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Solubility | DMSO : 100 mg/mL (240.82 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 415.200 g/mol |
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 414.051 Da |
| Monoisotopic Mass | 414.051 Da |
| Topological Polar Surface Area | 27.100 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 461.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
