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Aftin-4 200mg

CAT: 0628-A17139-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A17139-200Size:200 mg
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CAS Number
866893-90-5

Chemical Information

Aftin-4

increases production of amyloid-beta protein (1-42)

CAS Number866893-90-5
PubChem CID5289296
IUPAC Name(2R)-2-[[6-[benzyl(methyl)amino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
Molecular FormulaC20H28N6O
Molecular Weight368.5
XLogP3.3
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity444
SMILES
CC[C@H](CO)NC1=NC2=C(C(=N1)N(C)CC3=CC=CC=C3)N=CN2C(C)C
InChI
InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
InChIKey
YPYWONAECUVKHY-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of Aftin-4
CAS: 866893-90-5
CID: 5289296
Formula: C20H28N6O
MW: 368.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass368.23245954
Monoisotopic Mass368.23245954
Topological Polar Surface Area79.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity444
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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