Napabucasin 1g

CAT: 0628-A13474-1000Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0628-A13474-1000Size:1000 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

83280-65-3

Chemical Information

Napabucasin

Napabucasin has been investigated for the treatment of Colorectal Carcinoma.

CAS Number	83280-65-3
PubChem CID	10331844
IUPAC Name	2-acetylbenzo[f][1]benzofuran-4,9-dione
Molecular Formula	C14H8O4
Molecular Weight	240.21
XLogP	2.3
Topological Polar Surface Area	64.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	414

SMILES

CC(=O)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3

InChIKey

DPHUWDIXHNQOSY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 83280-65-3

CID: 10331844

Formula: C14H8O4

MW: 240.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.21
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	240.04225873
Monoisotopic Mass	240.04225873
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	414
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes