N,N-Diethyl-3-[4-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide CAS 380436-85-1
| CAS No. | 380436-85-1 |
| Molecular Formula | C19H22N4O3S2 |
| Molecular Weight | 418.53 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.
CATO supplies N,N-Diethyl-3-[4-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide (CAS 380436-85-1), a certified reference material (molecular formula C19H22N4O3S2, MW 418.53 g/mol) for analytical method development and quality control.
Structurally, N,N-Diethyl-3-[4-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide (C19H22N4O3S2) 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 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 418.53 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.
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.
Physical & Chemical Properties
| Molecular Formula | C19H22N4O3S2 |
| Molecular Weight | 418.53 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Recommended Standards
- N-(3-(2-Methoxyethyl)-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide (CAS 864977-40-2)
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- N-(2-Cyano-3-methylbutan-2-yl)-2-((5-(1-(dimethylamino)ethyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 756850-53-0)
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- 3-(2,4-Dimethylphenyl)-1-(2-fluorophenyl)propan-1-one (CAS 898794-28-0)
- Ethyl 5-amino-1-(4-fluorobenzyl)-1H-pyrazole-4-carboxylate (CAS 137278-70-7)
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- 2-Amino-5-[(furan-2-yl)methyl]-5-(thiophen-2-yl)-4,5-dihydro-1H-imidazol-4-one (CAS 1354917-71-7)
- Empagliflozin impurity 257 (CAS CATO-C4X-1065257)
- Semaglutide-d15 (CAS 910463-68-2(non-labelled))
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