Products for Research Use Only
RegisterLogin

KW-8232

CAT: 0926-SIA81315-03Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-SIA81315-03Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
217813-15-5
Smiles
C1CSCCN1C2=NC=CN=C2NN
Molecular Formula
C37H39ClN4O5S
Molecular Weight
687.2 g/mol
Controlled
No

Chemical Information

KW-8232

an anti-osteoporotic agent, on bone loss in neurectomized rats

CAS Number217813-15-5
PubChem CID44153669
IUPAC Name[4-[[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[2-(dimethylamino)ethyl]indol-3-yl]-(4-hydroxyphenyl)methyl]phenyl] methanesulfonate
Molecular FormulaC37H39ClN4O5S
Molecular Weight687.2
XLogP6.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count48
Formal Charge0
Complexity1150
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)OS(=O)(=O)C
InChI
InChI=1S/C37H39ClN4O5S/c1-39(2)20-25-42-32-10-6-4-8-30(32)35(36(42)37(44)41-23-21-40(22-24-41)33-11-7-5-9-31(33)38)34(26-12-16-28(43)17-13-26)27-14-18-29(19-15-27)47-48(3,45)46/h4-19,34,43H,20-25H2,1-3H3
InChIKey
SUJJACDTWCALRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KW-8232
CAS: 217813-15-5
CID: 44153669
Formula: C37H39ClN4O5S
MW: 687.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight687.2
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass686.2329692
Monoisotopic Mass686.2329692
Topological Polar Surface Area104 Ų
Heavy Atom Count48
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RIB25917-01KW-2449 hydrochloride
FM16476-01MLN 8237

Alternative Products

CatalogName
BA2302-5KW-8232
HY-100304ARKW-8232 (Standard)
T11792-01KW-8232 free base
A12629-100KW-8232 free base 100mg
A12629-25KW-8232 free base 25mg
A12629-50KW-8232 free base 50mg
A12629-10KW-8232 free base 10mg
A12629-5KW-8232 free base 5mg
A12629-1KW-8232 free base 1mg
A4123-5.1KW 2449

Popular Products