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KW-8232 free base 1mg

CAT: 0628-A12629-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A12629-1Size:1 mg
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CAS Number
170365-25-0

Chemical Information

KW-8232 free base
CAS Number170365-25-0
PubChem CID3025960
IUPAC Name[3-[bis(4-hydroxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]indol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
Molecular FormulaC36H37ClN4O3
Molecular Weight609.2
XLogP6.7
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity893
SMILES
CN(C)CCN1C2=CC=CC=C2C(=C1C(=O)N3CCN(CC3)C4=CC=CC=C4Cl)C(C5=CC=C(C=C5)O)C6=CC=C(C=C6)O
InChI
InChI=1S/C36H37ClN4O3/c1-38(2)19-24-41-31-9-5-3-7-29(31)34(33(25-11-15-27(42)16-12-25)26-13-17-28(43)18-14-26)35(41)36(44)40-22-20-39(21-23-40)32-10-6-4-8-30(32)37/h3-18,33,42-43H,19-24H2,1-2H3
InChIKey
HESAJCAYRSKRSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KW-8232 free base
CAS: 170365-25-0
CID: 3025960
Formula: C36H37ClN4O3
MW: 609.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.2
XLogP36.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass608.2554187
Monoisotopic Mass608.2554187
Topological Polar Surface Area72.2 Ų
Heavy Atom Count44
Formal Charge0
Complexity893
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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