≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C(=C4)C(F)(F)F)C6=C(S5)C(=CC(=O)N6)O |
|---|---|
| IUPAC Name | 11-(1-adamantyl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one |
| InChIKey | IUGSRUNHUVSORL-UHFFFAOYSA-N |
| INCHI | 1S/C21H19F3N2O2S/c22-21(23,24)12-4-14(20-6-9-1-10(7-20)3-11(2-9)8-20)25-19-16(12)17-18(29-19)13(27)5-15(28)26-17/h4-5,9-11H,1-3,6-8H2,(H2,26,27,28) |
| Isomeric SMILES | C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C(=C4)C(F)(F)F)C6=C(S5)C(=CC(=O)N6)O |
| PubChem CID | 54679231 |
| Molecular Weight | 420.45 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Molecular Weight | 420.400 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 420.112 Da |
| Monoisotopic Mass | 420.112 Da |
| Topological Polar Surface Area | 90.500 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 728.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![7-(1-adamantyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2',3':4,5]thieno[2,3-b]pyridin-2(1H)-one - ≥90% , CAS No.489416-85-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)