Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)C#N)NC(=O)C=CCN(C)C |
|---|---|
| IUPAC Name | (E)-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| InChIKey | NERXPXBELDBEPZ-RMKNXTFCSA-N |
| INCHI | 1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(32)14-23)41-19-20-7-5-8-22(33)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+ |
| Isomeric SMILES | CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)C#N)NC(=O)/C=C/CN(C)C |
| PubChem CID | 11238512 |
| Molecular Weight | 574.05 |
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.
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jul 10, 2025 | H286774 | |
| Certificate of Analysis | Jul 10, 2025 | H286774 | |
| Certificate of Analysis | Jul 10, 2025 | H286774 | |
| Certificate of Analysis | Jul 10, 2025 | H286774 | |
| Certificate of Analysis | Jul 10, 2025 | H286774 | |
| Certificate of Analysis | Jun 07, 2022 | H286774 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 57.4, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 14.35, Max Conc. mM: 25 |
|---|---|
| Molecular Weight | 574.000 g/mol |
| XLogP3 | 6.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 573.194 Da |
| Monoisotopic Mass | 573.194 Da |
| Topological Polar Surface Area | 99.500 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 915.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |