Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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.
| Pubchem Sid | 504772318 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772318 |
| Canonical Smiles | CN1C=NC2=C1C(=O)N(C=N2)CC3=NC(=NO3)CCC4=CC=C(C=C4)Cl |
| IUPAC Name | 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one |
| InChIKey | AWJBWNUUODWOKQ-UHFFFAOYSA-N |
| INCHI | 1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 |
| Isomeric SMILES | CN1C=NC2=C1C(=O)N(C=N2)CC3=NC(=NO3)CCC4=CC=C(C=C4)Cl |
| Molecular Weight | 370.79 |
| Reaxy-Rn | 29307639 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29307639&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 | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Purinones |
| Direct Parent | Hypoxanthines |
| Alternative Parents | 6-oxopurines Pyrimidones Chlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds 1,2,4-oxadiazoles Lactams Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hypoxanthine - 6-oxopurine - Halobenzene - Chlorobenzene - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - N-substituted imidazole - Aryl halide - Aryl chloride - Azole - Imidazole - Oxadiazole - 1,2,4-oxadiazole - Heteroaromatic compound - Lactam - Oxacycle - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole 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 |
|---|---|---|---|
| Certificate of Analysis | Aug 11, 2025 | A287071 | |
| Certificate of Analysis | Aug 11, 2025 | A287071 | |
| Certificate of Analysis | Aug 11, 2025 | A287071 | |
| Certificate of Analysis | Aug 11, 2025 | A287071 | |
| Certificate of Analysis | Aug 11, 2025 | A287071 | |
| Certificate of Analysis | Sep 28, 2022 | A287071 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 37.08, Max Conc. mM: 100 |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 370.800 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 370.095 Da |
| Monoisotopic Mass | 370.095 Da |
| Topological Polar Surface Area | 89.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 541.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →