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Anticancer agent 170

CAT: 0013-GTR19217711-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217711-01Size:5 mg
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Description
Compound 3a is a ketone derivative with potent anticancer activity, showing an in vitro IC50 of 6.62 μM against A549 lung carcinoma cells. It serves as a research tool for studying anticancer mechanisms and efficacy in oncology-related biochemical and cellular assays.
CAS Number
24126-98-5
Smiles
COC1=CC=C (CC (=O) C2=C (O) C=C (O) C=C2) C=C1OC
Molecular Formula
C16H16O5
Molecular Weight
288.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2,4-Dihydroxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone
CAS Number24126-98-5
PubChem CID689038
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone
Molecular FormulaC16H16O5
Molecular Weight288.29
XLogP3
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity346
SMILES
COC1=C(C=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O)OC
InChI
InChI=1S/C16H16O5/c1-20-15-6-3-10(8-16(15)21-2)7-13(18)12-5-4-11(17)9-14(12)19/h3-6,8-9,17,19H,7H2,1-2H3
InChIKey
LRXMMYWDVBYTPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,4-Dihydroxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone
CAS: 24126-98-5
CID: 689038
Formula: C16H16O5
MW: 288.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.29
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass288.09977361
Monoisotopic Mass288.09977361
Topological Polar Surface Area76 Ų
Heavy Atom Count21
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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