5-((4-Methoxyphenyl)sulfonyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one CAS 866156-64-1
| CAS No. | 866156-64-1 |
| Molecular Formula | C17H18N2O4S |
| Molecular Weight | 346.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-((4-Methoxyphenyl)sulfonyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one.
CATO supplies 5-((4-Methoxyphenyl)sulfonyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one (CAS 866156-64-1), a certified reference material (molecular formula C17H18N2O4S, MW 346.40 g/mol) for analytical method development and quality control.
Structurally, 5-((4-Methoxyphenyl)sulfonyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one (C17H18N2O4S) contains a flavonoid core, an amide group, a sulfone group, 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 346.40 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.
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 | C17H18N2O4S |
| Molecular Weight | 346.40 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 5-(Dimethylamino)-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile (CAS 940998-64-1)
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- 7-Benzyl-8-((2-hydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 316360-59-5)
- 4-((5-Benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino)-4-oxobutanoic acid (CAS 304668-08-4)
- p-Tolyl 2-amino-5-iodobenzoate (CAS 1131587-20-6)
- 1-Benzyl-1H-indole-6-carbaldehyde (CAS 192997-34-5)
- Benzophenone 9 (CAS 76656-36-5)
- Methyl 3-phenyl-3-pyrrolidinecarboxylate (CAS 1417599-36-0)
- (S)-2-methyl-1-(4-(trifluoromethoxy)phenyl)propan-1-amine (CAS 1213673-84-7)
- 6-(P-tolyl)imidazo[2,1-b]thiazole-5-carbaldehyde O-(2-chloro-6-fluorobenzyl) oxime (CAS 691883-95-1)
- Meloxicam Impurity 9 (CAS 13165-80-5)
- 2-Bromo-4,5-diethoxybenzoic acid (CAS 708285-67-0)
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