Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% 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 | B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=C(C=N3)OC)S(=O)(=O)C4=CC=C(C=C4)C |
|---|---|
| IUPAC Name | 5-methoxy-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine |
| InChIKey | GCLNTNSBJBMSNG-UHFFFAOYSA-N |
| INCHI | 1S/C21H25BN2O5S/c1-14-7-9-16(10-8-14)30(25,26)24-13-18(17-11-15(27-6)12-23-19(17)24)22-28-20(2,3)21(4,5)29-22/h7-13H,1-6H3 |
| Molecular Weight | 428.31 |
| Reaxy-Rn | 27372673 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27372673&ln= |
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 | 428.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 428.158 Da |
| Monoisotopic Mass | 428.158 Da |
| Topological Polar Surface Area | 88.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 716.000 |
| 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 |