≥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 | C1C(OC2=CC=CC=C2O1)CN3C4=C(C(=O)N(C3=O)O)SC=C4 |
|---|---|
| IUPAC Name | 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-hydroxythieno[3,2-d]pyrimidine-2,4-dione |
| InChIKey | MXQGCMQXTPTJJT-UHFFFAOYSA-N |
| INCHI | 1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2 |
| Isomeric SMILES | C1C(OC2=CC=CC=C2O1)CN3C4=C(C(=O)N(C3=O)O)SC=C4 |
| Molecular Weight | 332.33 |
| Reaxy-Rn | 9934373 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9934373&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 →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodioxanes |
| Subclass | Benzo-1,4-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzo-1,4-dioxanes |
| Alternative Parents | Thienopyrimidines Pyrimidones Alkyl aryl ethers Para dioxins Benzenoids Vinylogous amides Thiophenes Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-1,4-dioxane - Thienopyrimidine - Alkyl aryl ether - Pyrimidone - Para-dioxin - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Lactam - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring. |
| External Descriptors | Not available |
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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 |
|---|---|---|---|
 L2411204 | Certificate of Analysis | Dec 18, 2024 | L288189 |
| J2116194 | Certificate of Analysis | Jul 12, 2024 | L288189 |
| J2116195 | Certificate of Analysis | Jul 12, 2024 | L288189 |
| J2116217 | Certificate of Analysis | Jul 12, 2024 | L288189 |
| J2116219 | Certificate of Analysis | Jul 12, 2024 | L288189 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 16.62, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 332.300 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 332.047 Da |
| Monoisotopic Mass | 332.047 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 504.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
