3-Methyl-5-(methylthio)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one CAS 28745-13-3
| CAS No. | 28745-13-3 |
| Molecular Formula | C19H27NO2 |
| Molecular Weight | N/A |
| 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.
3-Methyl-5-(methylthio)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one (CAS 28745-13-3) is a high-purity analytical reference standard with the molecular formula C19H27NO2HBr and a molecular weight of 382.34 g/mol.
Structurally, 3-Methyl-5-(methylthio)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one (C19H27NO2HBr) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 382.34 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
As a certified reference material (CRM), 3-Methyl-5-(methylthio)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one 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 | C19H27NO2 HBr |
| Molecular Weight | 382.34 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1965 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidin-6-ol (CAS 100047-41-4)
- 2-(Methylthio)-N-(2-(4-nitrophenoxy)ethyl)thiazolo[4,5-d]pyrimidin-7-amine (CAS 1000574-56-0)
- 4-Methyl-3-(methylthio)-7-nitro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 1000575-87-0)
- 3-(Methylthio)-4-phenyl-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 1000577-38-7)
- 5-Methyl-2-(methylthio)pyrimidine (CAS 100114-24-7)
- 6-benzyl-2-(methylthio)pyrimidin-4(3H)-one (CAS 100142-46-9)
- 2-(Methylthio)-5,6-dihydropyrimidin-4(1H)-one (CAS 100185-53-3)
- 4-(methylthio)-6-(tributylstannyl)pyrimidine (CAS 1002719-56-3)
Recommended Standards
- N-(((3S,4R)-4-fluoropyrrolidin-3-yl)methyl)cyclopropanamine dihydrochloride (CAS 949495-08-3)
- 6-Chloro-2-methylquinoline (CAS 92-46-6)
- (2S)-Piperazine-2-carboxylic acid, N1-FMOC protected hydrochloride hemihydrate (CAS 915707-72-1)
- Tert-butyl3-amino-3-(aminomethyl)azetidine-1-carboxylate (CAS 2026413-31-8)
- Uracil-5,6-d2 (CAS 24897-52-7)
- 2-((2,3-Dimethylcyclohexyl)amino)-2-oxoethyl (E)-3-(benzo[d][1,3]dioxol-5-yl)acrylate (CAS 474652-58-9)
- Repaglinide Impurity 1 (CAS 88709-18-6)
- (3-Benzylpiperidin-3-yl)methanol (CAS 736908-00-2)
- Dalilesen Impurity 18 (CAS CATO-C4X-301018)
- [α-Glu](Side Chain)-Semaglutide (CAS CATO-C4X-2226159)
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