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Mefentrifluconazole

CAT: 0013-GTR19176670-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176670-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mefentrifluconazole is a novel, orally bioavailable azole antifungal that potently and selectively inhibits fungal CYP51 (Kd=0.5 nM) with significantly lower activity against human aromatase (IC50=0.92 μM) . It serves as a valuable research tool for studying fungal sterol biosynthesis and has demonstrated broad-spectrum efficacy in both in vitro assays and in vivo plant protection models.
CAS Number
1417782-03-6
Product Name Alternative
Cell, derivative, Cytochrome P450, CYPs, CYP51A, azole, aromatase, antifungal, necrosis, irritant, liver, inhibit, hypertrophy, Fungal, Mefentrifluconazole, Inhibitor
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
99.45% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (12.57 mM) ; DMSO:100 mg/mL (251.4 mM)
Smiles
CC (O) (Cn1cncn1) c1ccc (Oc2ccc (Cl) cc2) cc1C (F) (F) F
Molecular Formula
C18H15ClF3N3O2
Molecular Weight
397.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mefentrifluconazole

2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol is an aromatic ether that is diphenyl ether substituted by a 2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propan-2-yl group at position 1, trifluoromethyl group at position 2 and a chloro group at position 4. It is a tertiary alcohol, an aromatic ether, a member of triazoles, a member of monochlorobenzenes and a member of (trifluoromethyl)benzenes.

CAS Number1417782-03-6
PubChem CID71230671
IUPAC Name2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol
Molecular FormulaC18H15ClF3N3O2
Molecular Weight397.8
XLogP4
Topological Polar Surface Area60.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity491
SMILES
CC(CN1C=NC=N1)(C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F)O
InChI
InChI=1S/C18H15ClF3N3O2/c1-17(26,9-25-11-23-10-24-25)15-7-6-14(8-16(15)18(20,21)22)27-13-4-2-12(19)3-5-13/h2-8,10-11,26H,9H2,1H3
InChIKey
JERZEQUMJNCPRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mefentrifluconazole
CAS: 1417782-03-6
CID: 71230671
Formula: C18H15ClF3N3O2
MW: 397.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.8
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass397.0804889
Monoisotopic Mass397.0804889
Topological Polar Surface Area60.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1671-50Mefentrifluconazole
HY-136063R-01Mefentrifluconazole (Standard)

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