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THK5351

CAT: 0931-T13151L-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T13151L-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1707147-26-9
Target
Microtubule Associated
Related Pathways
Cytoskeletal Signaling
Purity
0.9933
Bioactivity
THK5351 is a tracer involved in PET imaging for electron emission tomography imaging of Alzheimer's disease and cognitive impairment.
Smiles
CNc1ccc(cn1)-c1ccc2cc(OC[C@H](O)CF)ccc2n1
Molecular Formula
C18H18FN3O2
Molecular Weight
327.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thk-5351
CAS Number1707147-26-9
PubChem CID91936858
IUPAC Name(2S)-1-fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol
Molecular FormulaC18H18FN3O2
Molecular Weight327.4
XLogP2.8
Topological Polar Surface Area67.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity387
SMILES
CNC1=NC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)OC[C@@H](CF)O
InChI
InChI=1S/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKey
DLVXFZWSPCOWSN-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Thk-5351
CAS: 1707147-26-9
CID: 91936858
Formula: C18H18FN3O2
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass327.13830499
Monoisotopic Mass327.13830499
Topological Polar Surface Area67.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity387
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

Alternative Products

CatalogName
BA8559-1THK5351
HY-101183RTHK5351 (Standard)
GTR19189408THK5351 (R enantiomer)
MBS5754040-01THK5351 R enantiomer

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