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Bifeprofen

CAT: 0013-GTR19239577-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239577-02Size:100 mg
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Description
Bifeprofen is a dose-dependent inhibitor of cytochrome P450 2C9 (CYP2C9), exhibiting 50% inhibition at 75 μM. This small molecule is a valuable research tool for studying drug metabolism and CYP2C9-mediated drug-drug interactions in both in vitro and in vivo experimental models.
CAS Number
108210-73-7
Field of Research
Metabolism Research
Smiles
O=C (OCC (=O) N1CCN (C) CC1) C (C=2C=CC (=CC2) C=3C=CC=CC3Cl) C
Molecular Formula
C22H25ClN2O3
Molecular Weight
400.90
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bifeprofen
CAS Number108210-73-7
PubChem CID185459
IUPAC Name[2-(4-methylpiperazin-1-yl)-2-oxoethyl] 2-[4-(2-chlorophenyl)phenyl]propanoate
Molecular FormulaC22H25ClN2O3
Molecular Weight400.9
XLogP3.9
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity528
SMILES
CC(C1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)OCC(=O)N3CCN(CC3)C
InChI
InChI=1S/C22H25ClN2O3/c1-16(22(27)28-15-21(26)25-13-11-24(2)12-14-25)17-7-9-18(10-8-17)19-5-3-4-6-20(19)23/h3-10,16H,11-15H2,1-2H3
InChIKey
UGBNNXAIXQVUOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bifeprofen
CAS: 108210-73-7
CID: 185459
Formula: C22H25ClN2O3
MW: 400.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.9
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass400.1553704
Monoisotopic Mass400.1553704
Topological Polar Surface Area49.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity528
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
HY-167872Bifeprofen
TRC-B383035-1GBifeprofen Hydrochloride

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