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Ketoprofen

CAT: 0127-BUP18294-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BUP18294-02Size:1 g
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CAS Number
22071-15-4
Synonyms
RP-19583
Purity
=98%
Smiles
CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1

Chemical Information

Ketoprofen

Ketoprofen is an oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2. It has a role as a non-steroidal anti-inflammatory drug, an antipyretic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a xenobiotic, an environmental contaminant and a drug allergen. It is a member of benzophenones and an oxo monocarboxylic acid. It is functionally related to a propionic acid.

CAS Number22071-15-4
PubChem CID3825
IUPAC Name2-(3-benzoylphenyl)propanoic acid
Molecular FormulaC16H14O3
Molecular Weight254.28
XLogP3.1
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity331
SMILES
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
InChIKey
DKYWVDODHFEZIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ketoprofen
CAS: 22071-15-4
CID: 3825
Formula: C16H14O3
MW: 254.28
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.28
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass254.094294304
Monoisotopic Mass254.094294304
Topological Polar Surface Area54.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity331
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-B0227-01Ketoprofen

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