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Tebuconazole

CAT: 0013-GTR19174107-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19174107-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tebuconazole is a triazole fungicide used in agricultural research that also acts as a potent inhibitor of fungal CYP51 enzymes. It is employed in biochemical studies to investigate sterol biosynthesis and antifungal mechanisms in both in vitro enzymatic assays and cellular models.
CAS Number
107534-96-3
Product Name Alternative
CaCYP51, CYP51, CYPs, Cytochrome P450, Fungal, Inhibitor, inhibit, Tebuconazole, Δ60HsCYP51
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
98.42% (May vary between batches)
Solubility
DMSO:8.46 mg/mL (27.48 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (3.25 mM)
Smiles
CC (C) (C) C (O) (CCc1ccc (Cl) cc1) Cn1cncn1
Molecular Formula
C16H22ClN3O
Molecular Weight
307.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tebuconazole

1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol is a tertiary alcohol that is pentan-3-ol substituted by a 4-chlorophenyl, methyl, methyl, and a 1H-1,2,4-triazol-1-ylmethyl at positions 1, 4, 4 and 3 respectively. It is a tertiary alcohol, a member of triazoles and a member of monochlorobenzenes.

CAS Number107534-96-3
PubChem CID86102
IUPAC Name1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Molecular FormulaC16H22ClN3O
Molecular Weight307.82
XLogP3.7
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity326
SMILES
CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O
InChI
InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
InChIKey
PXMNMQRDXWABCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tebuconazole
CAS: 107534-96-3
CID: 86102
Formula: C16H22ClN3O
MW: 307.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.82
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass307.1451400
Monoisotopic Mass307.1451400
Topological Polar Surface Area50.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity326
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
CS-T-61620Tebuconazole
TRC-T013002-10MGTebuconazole-d9
AR-T04106-01(S) -Tebuconazole

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