Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% 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 | CC1=C(SC=N1)C2=CC(=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)C)N4CC5=CC=CC=C5C4=O)O)OCCOCCOCCOCCCCCCCl |
|---|---|
| IUPAC Name | (2S,4R)-N-[[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide |
| InChIKey | UABTZMQNIWDHGQ-JGNAJVFASA-N |
| INCHI | 1S/C41H55ClN4O8S/c1-28(2)37(46-25-32-10-6-7-11-34(32)40(46)49)41(50)45-26-33(47)23-35(45)39(48)43-24-31-13-12-30(38-29(3)44-27-55-38)22-36(31)54-21-20-53-19-18-52-17-16-51-15-9-5-4-8-14-42/h6-7,10-13,22,27-28,33,35,37,47H,4-5,8-9,14-21,23-26H2,1-3H3,(H,43,48)/t33-,35+,37+/m1/s1 |
| PubChem CID | 156597126 |
| Molecular Weight | 799.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 799.400 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 23 |
| Exact Mass | 798.343 Da |
| Monoisotopic Mass | 798.343 Da |
| Topological Polar Surface Area | 168.000 Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 0 |
| Complexity | 1190.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |