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LLL3

CAT: 0931-T68951-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68951-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63972-38-3
Target
Others, STAT, Apoptosis
Related Pathways
JAK/STAT signaling, Stem Cells, Apoptosis, Others
Bioactivity
LLL3 is a small molecule STAT3 inhibitor.
Smiles
O=C1C=2C(C(=O)C=3C1=CC=CC3O)=CC=CC2C(C)=O
Molecular Formula
C16H10O4
Molecular Weight
266.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Acetyl-5-hydroxyanthracene-9,10-dione
CAS Number63972-38-3
PubChem CID16051915
IUPAC Name1-acetyl-5-hydroxyanthracene-9,10-dione
Molecular FormulaC16H10O4
Molecular Weight266.25
XLogP3.2
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity455
SMILES
CC(=O)C1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C16H10O4/c1-8(17)9-4-2-5-10-13(9)15(19)11-6-3-7-12(18)14(11)16(10)20/h2-7,18H,1H3
InChIKey
RROLKYCVTJGMND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Acetyl-5-hydroxyanthracene-9,10-dione
CAS: 63972-38-3
CID: 16051915
Formula: C16H10O4
MW: 266.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.25
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass266.05790880
Monoisotopic Mass266.05790880
Topological Polar Surface Area71.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity455
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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