(E)-4-(4-(4-(Bis(2-cyanoethyl)amino)benzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid CAS 68541-05-9
| CAS No. | 68541-05-9 |
| Molecular Formula | C23H21N5O4S |
| Molecular Weight | 463.51 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (E)-4-(4-(4-(Bis(2-cyanoethyl)amino)benzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(E)-4-(4-(4-(Bis(2-cyanoethyl)amino)benzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 68541-05-9) is a high-purity analytical reference standard with the molecular formula C23H21N5O4S and a molecular weight of 463.51 g/mol.
(E)-4-(4-(4-(Bis(2-cyanoethyl)amino)benzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (C23H21N5O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, 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 | C23H21N5O4S |
| Molecular Weight | 463.51 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Recommended Standards
- (4-((Tert-butoxycarbonyl)amino)bicyclo[2.2.2]Octan-1-yl)methyl 4-(trifluoromethyl)benzenesulfonate (CAS 2173992-16-8)
- 2-(2-(1,3-Dioxoisoindolin-2-yl)acetamido)-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 611194-15-1)
- (11bR)-N-Benzyl-N,2,6-trimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine (CAS 883229-45-6)
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