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Cypyrafluone

CAT: 0013-GTR19240596-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240596-02Size:10 mg
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Description
Cypyrafluone is a potent small molecule inhibitor of 4-hydroxyphenylpyruvate dioxygenase (4-HPPD), which acts by suppressing the synthesis of homogentisic acid. This compound is a valuable research tool for studying tyrosine catabolism and herbicide mechanisms in both in vitro enzymatic assays and in vivo plant science research.
CAS Number
1855929-45-1
Smiles
O=C (C1=CC=C (C (=C1Cl) N2C (=O) CCCC2) C (F) (F) F) C3=C (O) N (N=C3C4CC4) C
Molecular Formula
C20H19ClF3N3O3
Molecular Weight
441.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cypyrafluone
CAS Number1855929-45-1
PubChem CID139509773
IUPAC Name1-[2-chloro-3-(5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carbonyl)-6-(trifluoromethyl)phenyl]piperidin-2-one
Molecular FormulaC20H19ClF3N3O3
Molecular Weight441.8
XLogP3.3
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity796
SMILES
CN1C(=O)C(=C(N1)C2CC2)C(=O)C3=C(C(=C(C=C3)C(F)(F)F)N4CCCCC4=O)Cl
InChI
InChI=1S/C20H19ClF3N3O3/c1-26-19(30)14(16(25-26)10-5-6-10)18(29)11-7-8-12(20(22,23)24)17(15(11)21)27-9-3-2-4-13(27)28/h7-8,10,25H,2-6,9H2,1H3
InChIKey
GDXHMHWPNWMZGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cypyrafluone
CAS: 1855929-45-1
CID: 139509773
Formula: C20H19ClF3N3O3
MW: 441.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.8
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass441.1067037
Monoisotopic Mass441.1067037
Topological Polar Surface Area69.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity796
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-W725385-01Cypyrafluone

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