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BRD56491

CAT: 0931-T30582-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30582-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14756-26-4
Target
ROS
Related Pathways
Immunology/Inflammation
Purity
0.9989
Bioactivity
BRD56491 is a small molecule ROS enhancer and a bioprobe for the detection of cancer.
Smiles
O=C1C=C(OC2=C1C=CC=3C=CC=CC32)C=4C=CC(=CC4)C
Molecular Formula
C20H14O2
Molecular Weight
286.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(4-Methylphenyl)-4H-naphtho(1,2-b)pyran-4-one
CAS Number14756-26-4
PubChem CID1306582
IUPAC Name2-(4-methylphenyl)benzo[h]chromen-4-one
Molecular FormulaC20H14O2
Molecular Weight286.3
XLogP4.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity458
SMILES
CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
InChI
InChI=1S/C20H14O2/c1-13-6-8-15(9-7-13)19-12-18(21)17-11-10-14-4-2-3-5-16(14)20(17)22-19/h2-12H,1H3
InChIKey
AVCQGCNOJZYRJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Methylphenyl)-4H-naphtho(1,2-b)pyran-4-one
CAS: 14756-26-4
CID: 1306582
Formula: C20H14O2
MW: 286.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.3
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass286.099379685
Monoisotopic Mass286.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity458
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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CatalogName
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