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Uniconazole (S 3307D)

CAT: 1568-C09500Size: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C09500Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83657-22-1
Synonyms
XE 1019D
SKU
C09500-25mg
Target
P450 (e.g. CYP17)
Applications
Metabolism
Smiles
CC (C) (C) C (C (=CC1=CC=C (C=C1) Cl) N2C=NC=N2) O
Molecular Formula
C15H18ClN3O
Additionnal Information
Uniconazole (S 3307D, XE 1019D) is a well known inhibitor of cytochrome P450 monooxygenase that prevents the biosynthesis of trans-zeatin. Uniconazole targets CYP735As with Ki of 22 μM.
Storage Conditions
2 years -80 in solvent

Chemical Information

Uniconazole

(1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol is a member of the class of triazoles that is 1,2,4-triazole which is substituted at position 1 by a 1-(p-chlorophenyl)-3-hydroxy-4,4-dimethylpent-1-en-2-yl group. It is a secondary alcohol, a member of triazoles and a member of monochlorobenzenes.

CAS Number83657-22-1
PubChem CID6436604
IUPAC Name(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
Molecular FormulaC15H18ClN3O
Molecular Weight291.77
XLogP3.6
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity346
SMILES
CC(C)(C)C(/C(=C\C1=CC=C(C=C1)Cl)/N2C=NC=N2)O
InChI
InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
InChIKey
YNWVFADWVLCOPU-MDWZMJQESA-N
Chemical Structure
2D Structure
2D structure of Uniconazole
CAS: 83657-22-1
CID: 6436604
Formula: C15H18ClN3O
MW: 291.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.77
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass291.1138399
Monoisotopic Mass291.1138399
Topological Polar Surface Area50.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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