Products for Research Use Only

Epoxiconazole

CAT: 0013-GTR19173222-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173222-03Size:25 mg
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Description
Epoxiconazole (BAS-480F) is a triazole fungicide that acts as a potent 14α-demethylase inhibitor, disrupting ergosterol biosynthesis and fungal membrane integrity. It is widely used in agricultural research and in vitro studies to investigate antifungal mechanisms and manage plant pathogenic fungi.
CAS Number
133855-98-8
Product Name Alternative
Antifungal, biosynthesis, BAS480F, BAS-480F, BAS 480F, carbendazim-resistant, demethylation, Ergosterol, Fungal, Fungicide, EC 406 850 2, EC-406-850-2, Epoxiconazole, Inhibitor, inhibit, phenamacril-resistant
Field of Research
Cell Biology, Infectious Disease & Virology
Purity
98.10% (May vary between batches)
Solubility
DMSO:25 mg/mL (75.81 mM)
Smiles
Fc1ccc (cc1) [C@@]1 (Cn2cncn2) O[C@@H]1c1ccccc1Cl
Molecular Formula
C17H13ClFN3O
Molecular Weight
329.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Epoxiconazole

Epoxiconazole can cause cancer according to The Environmental Protection Agency (EPA).

CAS Number133855-98-8
PubChem CID107901
IUPAC Name1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Molecular FormulaC17H13ClFN3O
Molecular Weight329.8
XLogP3.2
Topological Polar Surface Area43.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity421
SMILES
C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl
InChI
InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1
InChIKey
ZMYFCFLJBGAQRS-IAGOWNOFSA-N
Chemical Structure
2D Structure
2D structure of Epoxiconazole
CAS: 133855-98-8
CID: 107901
Formula: C17H13ClFN3O
MW: 329.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight329.8
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass329.0731179
Monoisotopic Mass329.0731179
Topological Polar Surface Area43.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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