E7820

CAT: 0607-BA4578-25Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA4578-25Size:25 mg

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

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CAS Number

289483-69-8

Form

A solid

Molecular Formula

C17H12N4O2S

Molecular Weight

336.37

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

E 7820

E7820 has been investigated for the treatment of Colon Cancer and Rectal Cancer.

CAS Number	289483-69-8
PubChem CID	196970
IUPAC Name	3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
Molecular Formula	C17H12N4O2S
Molecular Weight	336.4
XLogP	2.4
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	668

SMILES

CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C#N

InChI

InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3

InChIKey

LWGUASZLXHYWIV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 289483-69-8

CID: 196970

Formula: C17H12N4O2S

MW: 336.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.4
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	336.06809681
Monoisotopic Mass	336.06809681
Topological Polar Surface Area	118 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	668
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