TNF-α -IN-1 2mg

CAT: 0628-A19687-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A19687-2Size:2 mg

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

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CAS Number

444287-49-4

Chemical Information

TNF-alpha-IN-1

CAS Number	444287-49-4
PubChem CID	10270102
IUPAC Name	2-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]acetamide
Molecular Formula	C16H14ClN3O5
Molecular Weight	363.75
XLogP	0.1
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	637

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC(=C3C2=O)CNC(=O)CCl

InChI

InChI=1S/C16H14ClN3O5/c17-6-12(22)18-7-8-2-1-3-9-13(8)16(25)20(15(9)24)10-4-5-11(21)19-14(10)23/h1-3,10H,4-7H2,(H,18,22)(H,19,21,23)

InChIKey

XRAYWKDMFVKUTJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 444287-49-4

CID: 10270102

Formula: C16H14ClN3O5

MW: 363.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.75
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	363.0621982
Monoisotopic Mass	363.0621982
Topological Polar Surface Area	113 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	637
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A19687-5	TNF-α -IN-1 5mg
A19687-250	TNF-α -IN-1 250mg
A19687-25	TNF-α -IN-1 25mg
A16274-2	PI3K-alpha inhibitor 1 2mg
A19687-10	TNF-α -IN-1 10mg
A19687-1	TNF-α -IN-1 1mg
A19687-100	TNF-α -IN-1 100mg
A19687-50	TNF-α -IN-1 50mg
A19182-2	P38α inhibitor 1 2mg
A21667-2	IFN alpha-IFNAR-IN-1 hydrochloride 2mg

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