2-((5-((9-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid CAS 116989-82-3
| CAS No. | 116989-82-3 |
| Molecular Formula | C25H16Cl2N6O2S |
| Molecular Weight | 535.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((5-((9-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-((5-((9-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 116989-82-3), molecular formula C25H16Cl2N6O2S and molecular weight 535.40 g/mol, is a CATO reference standard with documented purity and traceability.
2-((5-((9-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (C25H16Cl2N6O2S) contains a steroid core, 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. 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).
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 | C25H16Cl2N6O2S |
| Molecular Weight | 535.40 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 20.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- N-(2-Chloro-4-nitrophenyl)-2-((4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl)thio)acetamide (CAS 332163-95-8)
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- 6-Chloro-3-iodo-4-methyl-1-trityl-1H-pyrazolo[4,3-c]pyridine (CAS 1589540-65-7)
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- 6-Chloro-3-iodo-4-methyl-1-trityl-1H-pyrrolo[3,2-c]pyridine (CAS 2443909-96-2)
- 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N1,N3-bis(3-morpholinopropyl)malonamide (CAS 478063-84-2)
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Recommended Standards
- 3-Bromobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione (CAS 1324-17-0)
- 2-((4-(2-Chlorophenyl)-6-(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)-N-(3-nitrophenyl)acetamide (CAS 337935-93-0)
- (11aS)-3,7-Bis(4-chlorophenyl)-10,11,12,13-tetrahydro-5-hydroxy-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin (CAS 1258327-05-7)
- 4-Bromo-N-((4-ethyl-5-((4-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzenesulfonamide (CAS 338794-52-8)
- (S)-2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid (CAS 1022980-05-7)
- 2-(2-Methoxypropan-2-yl)pyrrolidine (CAS 160142-25-6)
- Di-tert-butyl2,2'-((2,5-dibromo-1,4-phenylene)bis(oxy))diacetate (CAS 1054625-64-7)
- 5-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-methoxypyridine (CAS 5059-34-7)
- SB 657510 (CAS 474960-44-6)
- Sa-504 (CAS 35035-05-3)
- Di-p-Chlorobenzyl N,N-Diisopropylphosphoramidite (CAS 128858-43-5)
- (7-Iodo-2,3-dihydropyrazolo[5,1-b]oxazol-6-yl)methanol (CAS 2460028-47-9)
- N-Ethyl-3-methoxybenzylamine (CAS 140715-61-3)
- Peptide Impurity 24 (CAS CATO-CPTD788824)
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