1-(2,5-Dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)-2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)ethan-1-one CAS 869354-47-2
| CAS No. | 869354-47-2 |
| Molecular Formula | C21H25N5O2S |
| Molecular Weight | 411.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-(2,5-Dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)-2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)ethan-1-one (CAS 869354-47-2), molecular formula C21H25N5O2S and molecular weight 411.52 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(2,5-Dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)-2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)ethan-1-one (C21H25N5O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 411.52 g/mol, it falls into the moderately-high-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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H25N5O2S |
| Molecular Weight | 411.52 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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 |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 2-{[5-(4-tert-Butylphenyl)-4-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide (CAS 893726-65-3)
- (2E,4E)-5-Phenylpenta-2,4-dienoyl chloride (CAS 100636-30-4)
- 2,2'-Bipyridine-4-Carboxylic Acid (CAS 1748-89-6)
- 87592-77-6 C20H24O10 Smyrindioloside W1282 (CAS 87592-77-6)
- 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetonitrile (CAS 17969-48-1)
- 4-((5-Bromo-4-hydrazinylpyridin-3-yl)sulfonyl)morpholine (CAS 1352541-14-0)
- Ethyl 2,6-Dimethylphenoxyacetate (CAS 6279-47-6)
- 1-(4-Acetylpiperazin-1-yl)-2-aminopropan-1-one (CAS 1218151-32-6)
- 3-Chloro-2-(1-methylhydrazinyl)-5-(trifluoromethyl)pyridine hydrochloride (CAS 1049743-93-2)
- 5-Bromo-n-(2-methoxyethyl)-n-methylpyridin-2-amine (CAS 214831-64-8)
- Exenatide Acetate (CAS 141732-76-5)
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