| CAS Number | 1707147-26-9 |
| Catalog Number | AG01EO4L(AGN-PC-3H466H) |
| Chemical Name | THK5351 |
| IUPAC Name | (2S)-1-fluoro-3-[2-[6-(methylamino)pyridin-3-yl]quinolin-6-yl]oxypropan-2-ol |
| 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 |
| InChI Key | DLVXFZWSPCOWSN-CQSZACIVSA-N |
| MDL Number | MFCD31382183 |
| Molecular Formula | C18H18FN3O2 |
| Molecular Weight | 327.3528 |
| SMILES | FC[C@H](COC=1C=C2C=CC(=NC2=CC1)C=1C=NC(=CC1)NC)O |
| UNII | JE3F6WUN31 |
| Synonyms | 18F-THK5351,
THK5351,
THK5351,
UNII-JE3F6WUN31,
JE3F6WUN31,
THK-5351,
1707147-26-9,
SCHEMBL16829186,
CS-6887,
HY-101183,
J3.349.111E,
2-(6-Methylaminopyridine-3-yl)-6-((S)-3-fluoro-2-hydroxy-propyloxy)quinoline,
2-Propanol, 1-fluoro-3-((2-(6-(methylamino)-3-pyridinyl)-6-quinolinyl)oxy)-, (2S)-,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.359g/mol |
| Monoisotopic Mass | 327.138g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number