GSK2801 50mg

CAT: 0628-A14015-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A14015-50Size:50 mg

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

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CAS Number

1619994-68-1

Chemical Information

Gsk2801

CAS Number	1619994-68-1
PubChem CID	73010930
IUPAC Name	1-[1-(2-methylsulfonylphenyl)-7-propoxyindolizin-3-yl]ethanone
Molecular Formula	C20H21NO4S
Molecular Weight	371.5
XLogP	4.2
Topological Polar Surface Area	73.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	599

SMILES

CCCOC1=CC2=C(C=C(N2C=C1)C(=O)C)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3

InChIKey

KHWCPNJRJCNVRI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1619994-68-1

CID: 73010930

Formula: C20H21NO4S

MW: 371.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.5
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	371.11912932
Monoisotopic Mass	371.11912932
Topological Polar Surface Area	73.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	599
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

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