3-[1-butyl-5-(pyrrolidine-1-sulfonyl)-1h-1,3-benzodiazol-2-yl]propanoic acid CAS 790681-55-9
| CAS No. | 790681-55-9 |
| Molecular Formula | C18H25N3O4S |
| Molecular Weight | 379.47 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.
3-[1-butyl-5-(pyrrolidine-1-sulfonyl)-1h-1,3-benzodiazol-2-yl]propanoic acid (CAS 790681-55-9) is a high-purity analytical reference standard with the molecular formula C18H25N3O4S and a molecular weight of 379.47 g/mol.
3-[1-butyl-5-(pyrrolidine-1-sulfonyl)-1h-1,3-benzodiazol-2-yl]propanoic acid (C18H25N3O4S) 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. 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 | C18H25N3O4S |
| Molecular Weight | 379.47 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 |
Related butyl Standards
- 4-Phenyl-5-[3-(pyrrolidine-1-sulfonyl)-phenyl]-4H-[1,2,4]triazole-3-thiol (CAS 380431-17-4)
- 3-[1-propyl-5-(pyrrolidine-1-sulfonyl)-1h-1,3-benzodiazol-2-yl]propanoic acid (CAS 749902-33-8)
- 2'-(Pyrrolidine-3-carbonyl)-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid (CAS 1262006-50-7)
- Ethyl 2-(pyrrolidine-1-carbonyl)-3-((3-(trifluoromethyl)phenyl)carbamoyl)cyclopropane-1-carboxylate (CAS 318237-95-5)
- 2-(6-Oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl)acetic acid (CAS 1219289-06-1)
- 2-((2-(Pyrrolidine-1-carbonyl)phenyl)thio)ethyl benzoate (CAS 62220-62-6)
- N-(5-{[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl}pyridin-2-yl)acetamide (CAS 343373-18-2)
- 3-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid (CAS 873790-30-8)
Recommended Standards
- 2-Benzyl-3-phenyl-4-(phenylsulfonyl)isoxazolidine (CAS 339011-77-7)
- 4-Cyano-3-fluorophenyl 4-(trans-4-butylcyclohexyl)benzoate (CAS 92118-83-7)
- tert-Butyl (1-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperidin-3-yl)(methyl)carbamate (CAS 1420954-82-0)
- 4-Nitro-1-((2,4,6-triisopropylphenyl)sulfonyl)-1H-imidazole (CAS 63734-76-9)
- 3-Hydroxytetrahydro-2,6-methanofuro[3,2-b]furan-5(2H)-one (CAS 90129-15-0)
- Methyl 4-bromo-3-(tert-butyl)-1H-pyrazole-5-carboxylate (CAS 1239712-58-3)
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- 4',5-Dihydroxy-1,6-dihydro-[1,1'-biphenyl]-3(2H)-one (CAS 1255147-77-3)
- Insulin Detemir (CAS 169148-63-4)
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