1-(2,5-Dimethylphenyl)-6-mercapto-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one CAS 1416340-80-1
| CAS No. | 1416340-80-1 |
| Molecular Formula | C13H12N4OS |
| Molecular Weight | 272.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-(2,5-Dimethylphenyl)-6-mercapto-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 1416340-80-1), molecular formula C13H12N4OS and molecular weight 272.33 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(2,5-Dimethylphenyl)-6-mercapto-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (C13H12N4OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 272.33 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C13H12N4OS |
| Molecular Weight | 272.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Dimethylphenyl Standards
- 1-(3,4-Dimethylphenyl)-6-mercapto-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS 1105189-44-3)
- 1-(2,3-Dimethylphenyl)-6-mercapto-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 1416339-45-1)
- 1-(2,4-Dimethylphenyl)-6-mercapto-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 1416345-82-8)
- 3-(1-(2,5-Dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid (CAS 1152954-60-3)
- 3-(1-(2,4-Dimethylphenyl)-3,5-dimethyl-1h-pyrazol-4-yl)propanoic acid (CAS 1154289-88-9)
- 3-(1-(3,4-Dimethylphenyl)-3,5-dimethyl-1h-pyrazol-4-yl)propanoic acid (CAS 1170027-28-7)
- 3-(1-(2,3-Dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid (CAS 1225580-26-6)
- 3-(2,4-Dimethylphenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione (CAS 1255776-62-5)
Recommended Standards
- 4-Amino-5-[(1-naphthyloxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 137266-17-2)
- 1-(4-Ethylphenyl)-6-mercapto-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 1416345-99-7)
- 7-(Ethylthio)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-amine (CAS 1356830-91-5)
- Tetrakis(2-hydroxyethyl) orthosilicate (CAS 17622-94-5)
- 7-Iodobenzofuran-5-sulfonylchloride (CAS 856678-58-5)
- 2,3,5-Trimethyl-4-hydroxybenzaldehyde (CAS 91060-95-6)
- Tetrahydro-1H-4,7-methanoisoindole-1,3,5(2H,6H)-trione (CAS 1379302-46-1)
- Daptomycin Impurity 29 (CAS CATO-C4X-137829)
- Imipenem Impurity 10 (CAS CATO-C4X-166210)
- 1-Methyl-5-nitro-1H-pyrazole-4-carbonyl chloride (CAS 121568-18-1)
- 2-Chloro-N-(2,5-dichlorobenzyl)-N-ethylacetamide (CAS 1353947-89-3)
- ethyl 4H-thieno[3,2-b]pyrrole-2-carboxylate (CAS 848243-85-6)
- Ethyl 6-oxo-2-(pyrimidin-2-yl)-1,6-dihydropyrimidine-5-carboxylate (CAS 432521-54-5)
- Semaglutide impurity 286 (CAS CATO-C4X-2226286)
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