Ethyl 2-(6-((4-chlorophenyl)thio)-9H-purin-9-yl)acetate CAS 646509-72-0
| CAS No. | 646509-72-0 |
| Molecular Formula | C15H13ClN4O2S |
| Molecular Weight | 348.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-(6-((4-chlorophenyl)thio)-9H-purin-9-yl)acetate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 2-(6-((4-chlorophenyl)thio)-9H-purin-9-yl)acetate (CAS 646509-72-0) is a high-purity analytical reference standard with the molecular formula C15H13ClN4O2S and a molecular weight of 348.81 g/mol.
Ethyl 2-(6-((4-chlorophenyl)thio)-9H-purin-9-yl)acetate (C15H13ClN4O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Ethyl 2-(6-((4-chlorophenyl)thio)-9H-purin-9-yl)acetate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C15H13ClN4O2S |
| Molecular Weight | 348.81 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 8-Chloro-4-hydroxy-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (CAS 951975-08-9)
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- Ethyl 3-chloro-5-ethoxy-4-((2-methylbenzyl)oxy)benzoate (CAS 1706457-95-5)
- 5-(4-Chlorophenethylsulfonyl)-1-phenyl-1H-tetrazole (CAS 1372784-40-1)
- 2-Chloro-4-fluoroisophthalonitrile (CAS 924626-93-7)
- (S)-[2’-(2-Methoxybenzyl)-[1,1’-binaphthalen]-2-yl]diphenylphosphine (CAS 1454319-48-2)
- 1-(Mesitylsulfonyl)piperidine-3-carboxylic acid (CAS 385398-13-0)
- N-(5-Amino-2-fluorophenyl)-4-propoxybenzamide (CAS 1020057-14-0)
- Methyl 2-(2-(2,4-dichlorophenoxy)acetamido)-5-((2-fluorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 335408-44-1)
- 1-((E)-4-Phenyl-but-3-enyl)-piperazine hydrochloride (CAS 1353973-83-7)
- N,N-Diphenyl-9H-carbazol-3-amine (CAS 883224-26-8)
- (S)-4-(hydroxymethyl)pyrrolidin-2-one (CAS 476423-84-4)
- 3-Hydroxy-8-methylquinolin-2(1H)-one (CAS 861580-69-0)
- Semaglutide impurity 51 (CAS CATO-C4X-222651)
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