(3S)-Hexahydro-3-methyl-4-[(4-methylphenyl)sulfonyl]-1H-1,4-diazepine-1-carboxylic Acid 1,1-Dimethylethyl Ester 1246814-73-2 Hexahydro-2-methyl-1-(p-toluenesulfonyl)-4-(t-butoxycarbonyl)-1,4-diazepine CAS 1246814-73-2
| CAS No. | 1246814-73-2 |
| Molecular Formula | C18H28N2O4S |
| Molecular Weight | 368.49 g/mol |
| 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.
(3S)-Hexahydro-3-methyl-4-[(4-methylphenyl)sulfonyl]-1H-1,4-diazepine-1-carboxylic Acid 1,1-Dimethylethyl Ester 1246814-73-2 Hexahydro-2-methyl-1-(p-toluenesulfonyl)-4-(t-butoxycarbonyl)-1,4-diazepine (CAS 1246814-73-2) is a high-purity analytical reference standard with the molecular formula C18H28N2O4S and a molecular weight of 368.49 g/mol.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, (3S)-Hexahydro-3-methyl-4-[(4-methylphenyl)sulfonyl]-1H-1,4-diazepine-1-carboxylic Acid 1,1-Dimethylethyl Ester 1246814-73-2 Hexahydro-2-methyl-1-(p-toluenesulfonyl)-4-(t-butoxycarbonyl)-1,4-diazepine is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 368.49 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).
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 | C18H28N2O4S |
| Molecular Weight | 368.49 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related S Standards
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Recommended Standards
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- 4-Amino-3,5-dichlorobenzene-1-sulfonyl chloride (CAS 98141-54-9)
- n-(4-Chlorophenyl)piperidine-3-carboxamide (CAS 787546-33-2)
- 2',3'-Dichloro-4'-(difluoromethoxy)propiophenone (CAS 1804517-20-1)
- 4-Ethynyl-1,4-dihydro-4-methyl-1-(methylsulfonyl)-2H-3,1-benzoxazin-2-one (CAS 2808410-66-2)
- Neuropeptide Y (3-36) (human, rat) trifluoroacetate salt (CAS 150138-78-6)
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