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Lefucoxib

CAT: 0013-GTR19211394-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211394-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lefucoxib is a selective cyclooxygenase-2 (COX-2) inhibitor used in research to study inflammation, pain mechanisms, and cancer. It is applied in both in vitro assays and in vivo animal models to investigate COX-2-mediated pathways, including in rheumatoid arthritis and tumorigenesis studies.
CAS Number
849048-84-6
Smiles
C (F) (F) (F) C=1C=C (N (N1) C2=CC=C (S (C) (=O) =O) C=C2) C3=CC (C) =C (C) C=C3
Molecular Formula
C19H17F3N2O2S
Molecular Weight
394.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lefucoxib
CAS Number849048-84-6
PubChem CID16730197
IUPAC Name5-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.4
XLogP4.4
Topological Polar Surface Area60.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity611
SMILES
CC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C
InChI
InChI=1S/C19H17F3N2O2S/c1-12-4-5-14(10-13(12)2)17-11-18(19(20,21)22)23-24(17)15-6-8-16(9-7-15)27(3,25)26/h4-11H,1-3H3
InChIKey
BYPOBZCPKWLRFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lefucoxib
CAS: 849048-84-6
CID: 16730197
Formula: C19H17F3N2O2S
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass394.09628345
Monoisotopic Mass394.09628345
Topological Polar Surface Area60.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity611
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-121357Lefucoxib

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