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Cinfenoac

CAT: 0013-GTR19241819-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241819-01Size:50 mg
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Description
Cinfenoac is a synthetic chalcone derivative investigated for its anti-inflammatory, anti-allergic, and anti-ulcer properties. It serves as a research tool in pharmacological studies, with applications explored in both in vitro assays and in vivo animal models of inflammation and gastrointestinal disorders.
CAS Number
66984-59-6
Smiles
O=C (O) C1=CC=C (C=CC (=O) C2=CC=C (OCC (=O) O) C=C2) C=C1
Molecular Formula
C18H14O6
Molecular Weight
326.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cinfenoac

Cinfenoac is a small molecule drug. The usage of the INN stem '-ac' in the name indicates that Cinfenoac is a anti-inflammatory agent, ibufenac derivative. Cinfenoac has a monoisotopic molecular weight of 326.08 Da.

CAS Number66984-59-6
PubChem CID6443801
IUPAC Name4-[(E)-3-[4-(carboxymethoxy)phenyl]-3-oxoprop-1-enyl]benzoic acid
Molecular FormulaC18H14O6
Molecular Weight326.3
XLogP2.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity482
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)OCC(=O)O)C(=O)O
InChI
InChI=1S/C18H14O6/c19-16(10-3-12-1-4-14(5-2-12)18(22)23)13-6-8-15(9-7-13)24-11-17(20)21/h1-10H,11H2,(H,20,21)(H,22,23)/b10-3+
InChIKey
HXSSCTOWBWPFEV-XCVCLJGOSA-N
Chemical Structure
2D Structure
2D structure of Cinfenoac
CAS: 66984-59-6
CID: 6443801
Formula: C18H14O6
MW: 326.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.3
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass326.07903816
Monoisotopic Mass326.07903816
Topological Polar Surface Area101 Ų
Heavy Atom Count24
Formal Charge0
Complexity482
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202716-01Cinfenoac
HY-W300403ACinfenoac (disodium)
T204970-01Cinfenoac disodium

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