LC3-mHTT-IN-AN1 25mg

CAT: 0628-A22054-25Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0628-A22054-25Size:25 mg

Selected

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

Quick Request Actions

CAS Number

486443-73-6

Chemical Information

LC3-mHTT-IN-AN1

CAS Number	486443-73-6
PubChem CID	1759437
IUPAC Name	(3Z)-5-bromo-3-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-1H-indol-2-one
Molecular Formula	C15H9Br2NO3
Molecular Weight	411.04
XLogP	3.6
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	456

SMILES

C1=CC2=C(C=C1Br)/C(=C/C3=CC(=C(C(=C3)Br)O)O)/C(=O)N2

InChI

InChI=1S/C15H9Br2NO3/c16-8-1-2-12-9(6-8)10(15(21)18-12)3-7-4-11(17)14(20)13(19)5-7/h1-6,19-20H,(H,18,21)/b10-3-

InChIKey

GPKLWRHHVIBYEO-KMKOMSMNSA-N

Chemical Structure

2D Structure

CAS: 486443-73-6

CID: 1759437

Formula: C15H9Br2NO3

MW: 411.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	411.04
XLogP3	3.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	410.89287
Monoisotopic Mass	408.89492
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	456
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes