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4'-hydroxy Flurbiprofen

CAT: 0013-GTR19191905-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191905-02Size:5 mg
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Description
4'-Hydroxy Flurbiprofen (CAS 52807-12-2) is a metabolite of the NSAID flurbiprofen, used in life science research. It serves as a reference standard in pharmacokinetic and metabolic studies, applicable in both in vitro enzymatic assays and in vivo models investigating drug metabolism and disposition.
CAS Number
52807-12-2
Field of Research
Immunology & Inflammation, Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
CC (C (O) =O) c1ccc (c (F) c1) -c1ccc (O) cc1
Molecular Formula
C15H13FO3
Molecular Weight
260.264
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4'-Hydroxyflurbiprofen

4'-Hydroxyflurbiprofen is a member of biphenyls.

CAS Number52807-12-2
PubChem CID157678
IUPAC Name2-[3-fluoro-4-(4-hydroxyphenyl)phenyl]propanoic acid
Molecular FormulaC15H13FO3
Molecular Weight260.26
XLogP3.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity313
SMILES
CC(C1=CC(=C(C=C1)C2=CC=C(C=C2)O)F)C(=O)O
InChI
InChI=1S/C15H13FO3/c1-9(15(18)19)11-4-7-13(14(16)8-11)10-2-5-12(17)6-3-10/h2-9,17H,1H3,(H,18,19)
InChIKey
GTSMMBJBNJDFRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxyflurbiprofen
CAS: 52807-12-2
CID: 157678
Formula: C15H13FO3
MW: 260.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.26
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass260.08487243
Monoisotopic Mass260.08487243
Topological Polar Surface Area57.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity313
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

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Alternative Products

CatalogName
CS-T-560524'-Hydroxy Flurbiprofen
TRC-H942440-50MG4’-Hydroxy Flurbiprofen
AR-F01811-014' -Hydroxy flurbiprofen
sc-2170554'-Hydroxy Flurbiprofen-d3
HY-132436S-014’-Hydroxy Flurbiprofen-d3
sc-491615α-Hydroxy Flurbiprofen
TRC-H942445-2.5Ga-Hydroxy Flurbiprofen
AR-F10562-014'-Hydroxy Flurbiprofen-13C-d3
TRC-H942445-250MGalpha-Hydroxy Flurbiprofen
H9072-014’-Hydroxy Flurbiprofen-d3 discontinued discontinued

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