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AP-2238

CAT: 0931-T30090-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T30090-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
553681-56-4
Target
Others
Related Pathways
Others
Bioactivity
AP-2238 is a bio-active chemical.
Smiles
O=C1OC=2C=C(OC)C(OC)=CC2C=C1C3=CC=C(C=C3)CN(C)CC=4C=CC=CC4
Molecular Formula
C26H25NO4
Molecular Weight
415.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AP-2238

also inhibits acetylcholinesterase-induced beta-amyloid aggregation; structure in first source

CAS Number553681-56-4
PubChem CID9844749
IUPAC Name3-[4-[[benzyl(methyl)amino]methyl]phenyl]-6,7-dimethoxychromen-2-one
Molecular FormulaC26H25NO4
Molecular Weight415.5
XLogP4.8
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity621
SMILES
CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CC4=CC(=C(C=C4OC3=O)OC)OC
InChI
InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3
InChIKey
KXMCSAUVAHKCOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AP-2238
CAS: 553681-56-4
CID: 9844749
Formula: C26H25NO4
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass415.17835828
Monoisotopic Mass415.17835828
Topological Polar Surface Area48 Ų
Heavy Atom Count31
Formal Charge0
Complexity621
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