11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one CAS 737814-05-0
| CAS No. | 737814-05-0 |
| Molecular Formula | C16H21N3O2S |
| Molecular Weight | 319.42 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.
11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one (CAS 737814-05-0) is a high-purity analytical reference standard with the molecular formula C16H21N3O2S and a molecular weight of 319.42 g/mol.
Structurally, 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one (C16H21N3O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 319.42 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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 | C16H21N3O2S |
| Molecular Weight | 319.42 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 2-(2-(Benzylthio)-5-(hydroxymethyl)-1H-imidazol-1-yl)-N-isopropylacetamide (CAS 921524-03-0)
- 2-Bromo-6-methoxy-4-(morpholinomethyl)phenol (CAS 416894-85-4)
- 4-(1H-Pyrazol-1-yl)benzoic acid hydrochloride (CAS 1185294-89-6)
- 3-Bromo-4-chloropyridine Hydrochloride (CAS 181256-18-8)
- (2R,4S)-4-(tert-butoxycarbonylamino)tetrahydropyran-2-carboxylic acid (CAS 2306255-59-2)
- (R)-3-(3-Methyl-pyrazin-2-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester (CAS 1264038-42-7)
- 890100-57-9 Ethyl 6-(2-chloropyridin-3-yl)-6-oxohexanoate DTXSID60641796 (CAS 890100-57-9)
- Tert-butyl3-cyanoazepane-1-carboxylate (CAS 1784386-41-9)
- 2-(4-Iodo-1H-pyrazol-1-yl)pyridine (CAS 777881-98-8)
- 2,4-Dichloro-6-methylnicotinic acid (CAS 56022-07-2)
- Liraglutide Impurity 17 TFA Salt (CAS CATO-C4X-199217)
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