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Naproxen ethyl ester

CAT: 0013-GTR19210540-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210540-02Size:50 mg
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Description
Naproxen ethyl ester is a propionic acid-derived NSAID and non-selective COX inhibitor used to study inflammation and pain mechanisms. It serves as a research tool for investigating pharmacokinetics and pharmacodynamics in both in vitro enzymatic assays and in vivo inflammatory models.
CAS Number
31220-35-6
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
[C@H] (C (OCC) =O) (C) C1=CC2=C (C=C (OC) C=C2) C=C1
Molecular Formula
C16H18O3
Molecular Weight
258.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Naproxen ethyl ester
CAS Number31220-35-6
PubChem CID711615
IUPAC Nameethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Molecular FormulaC16H18O3
Molecular Weight258.31
XLogP3.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity302
SMILES
CCOC(=O)[C@@H](C)C1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C16H18O3/c1-4-19-16(17)11(2)12-5-6-14-10-15(18-3)8-7-13(14)9-12/h5-11H,4H2,1-3H3/t11-/m0/s1
InChIKey
URNAYRDBUUZOIU-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Naproxen ethyl ester
CAS: 31220-35-6
CID: 711615
Formula: C16H18O3
MW: 258.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.31
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass258.125594432
Monoisotopic Mass258.125594432
Topological Polar Surface Area35.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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