Methyl (S)-2-(4-(4-chlorophenyl)-2-(hydroxymethyl)-3,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate CAS 916491-91-3
| CAS No. | 916491-91-3 |
| Molecular Formula | C20H19ClN4O3S |
| Molecular Weight | 430.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, Methyl (S)-2-(4-(4-chlorophenyl)-2-(hydroxymethyl)-3,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 430.91 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
Methyl (S)-2-(4-(4-chlorophenyl)-2-(hydroxymethyl)-3,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate (CAS 916491-91-3), molecular formula C20H19ClN4O3S and molecular weight 430.91 g/mol, is a CATO reference standard with documented purity and traceability.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), Methyl (S)-2-(4-(4-chlorophenyl)-2-(hydroxymethyl)-3,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-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 | C20H19ClN4O3S |
| Molecular Weight | 430.91 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
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- 3-Benzyl-1-(3-chloro-4-fluorophenyl)-1-(2-hydroxy-3-methoxybenzyl)thiourea (CAS 306730-50-7)
- 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (CAS 1019119-96-0)
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- 2-(tert-Butoxycarbonyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 845552-56-9)
- 1-(3-Chloro-4-fluorophenyl)propan-2-ol (CAS 1697873-11-2)
- 7-Oxo-7-(thiophen-2-yl)heptanoic acid (CAS 463301-90-8)
- Cyanazine (CAS 21725-46-2)
- 2-(4-Oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(pyridin-3-ylmethyl)acetamide (CAS 451465-83-1)
- 2-Amino-4-(2,5-dichlorophenyl)thiazole (CAS 68301-45-1)
- Methyl 3-iodo-4-oxo-1,4-dihydroquinoline-6-carboxylate (CAS 1264209-73-5)
- D-[Val]10-Semaglutide (CAS CATO-CPTD788630)
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