3-(7-(4-Chlorophenyl)-4-oxo-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-3-yl)propanoic acid CAS 1049030-39-8
| CAS No. | 1049030-39-8 |
| Molecular Formula | C14H11ClN4O3S |
| Molecular Weight | 350.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(7-(4-Chlorophenyl)-4-oxo-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-3-yl)propanoic acid (CAS 1049030-39-8), molecular formula C14H11ClN4O3S and molecular weight 350.78 g/mol, is a CATO reference standard with documented purity and traceability.
3-(7-(4-Chlorophenyl)-4-oxo-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-3-yl)propanoic acid (C14H11ClN4O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C14H11ClN4O3S |
| Molecular Weight | 350.78 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3-Bromo-2,4-dimethylaniline (CAS 66314-77-0)
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- (1R,2S)-2-Fluorocyclopropanamine hydrochloride (CAS 141042-21-9)
- 3,4-Dihydronaphthalene-1,2-dione (CAS 6516-03-6)
- 2-Methyl-3-(2-trifluoromethyl-phenyl)-propionic acid (CAS 1269531-78-3)
- 9-Octadecenoic acid (9Z)-, 2-methylpropyl ester, compd. with sulfuric acid (CAS 7779-99-9)
- 1-(Methoxymethyl)-1h-indazole-5-carboxylic acid (CAS 1404449-16-6)
- 1170881-50-1 N-[(3'-Methylbiphenyl-4-yl)sulfonyl]glycine MFCD14281599 (CAS 1170881-50-1)
- Semaglutide Impurity 160 (x TFA Salt) (CAS CATO-C4X-2226160)
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