5-(3-Chloro-2-methylphenyl)-2-phenyl-3-(pyridin-3-yl)tetrahydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione CAS 1005103-62-7
| CAS No. | 1005103-62-7 |
| Molecular Formula | C23H18ClN3O3 |
| Molecular Weight | 419.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 5-(3-Chloro-2-methylphenyl)-2-phenyl-3-(pyridin-3-yl)tetrahydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione (C23H18ClN3O3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
5-(3-Chloro-2-methylphenyl)-2-phenyl-3-(pyridin-3-yl)tetrahydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione (CAS 1005103-62-7), molecular formula C23H18ClN3O3 and molecular weight 419.86 g/mol, is a CATO reference standard with documented purity and traceability.
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.
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 | C23H18ClN3O3 |
| Molecular Weight | 419.86 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
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Recommended Standards
- 3-[benzyl(4-fluorophenyl)sulfamoyl]-4-chlorobenzoic acid (CAS 727704-67-8)
- N-(3-(benzyloxy)pyridin-2-yl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide (CAS 1022601-39-3)
- 3-(Benzenesulfonyl)-4,6-dimethylpyridin-2-yl 2-chloro-6-fluorobenzoate (CAS 400083-86-5)
- 5-Bromo-3-((3-(((tert-butyldimethylsilyl)oxy)methyl)pyrrolidin-1-yl)methyl)-2-chloropyridine (CAS 1186311-13-6)
- 3-Acetyl-5-chloropicolinic acid (CAS 1221792-79-5)
- 1-Pyrenedodecanoic acid (CAS 69168-45-2)
- 2-Methoxy-3-methyl-5-(pyrrolidin-2-yl)pyridine (CAS 1352518-50-3)
- 4-chloro-5-fluoro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one (CAS 1190315-74-2)
- Methyl Trichloroacetate (CAS 598-99-2)
- 2-Amino-3-bromo-5-fluoronaphthalene-1,4-dione (CAS 192718-92-6)
- Tert-butyl 5-bromo-3-formyl-1H-indazole-1-carboxylate (CAS 936132-61-5)
- 4-Chloro-N,N-dimethyl-2-sulfamoylbenzamide (CAS 1099660-92-0)
- (2Z)-1,1,1,2,3,4,4,4-Octafluorobut-2-Ene (CAS 1516-65-0)
- Polymyxin B nonapeptide TFA (CAS 2220175-42-6)
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