2-Chloro-1-{5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(thiophen-2-yl)-4,5-dihydro-1h-pyrazol-1-yl}ethan-1-one CAS 731826-82-7
| CAS No. | 731826-82-7 |
| Molecular Formula | C17H15ClF2N2O3S |
| Molecular Weight | 400.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-Chloro-1-{5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(thiophen-2-yl)-4,5-dihydro-1h-pyrazol-1-yl}ethan-1-one (CAS 731826-82-7), molecular formula C17H15ClF2N2O3S and molecular weight 400.83 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 2-Chloro-1-{5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(thiophen-2-yl)-4,5-dihydro-1h-pyrazol-1-yl}ethan-1-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 400.83 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
Physical & Chemical Properties
| Molecular Formula | C17H15ClF2N2O3S |
| Molecular Weight | 400.83 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- n-(4-(((3-Chloroquinoxalin-2-yl)(cyano)methyl)sulfonyl)phenyl)acetamide (CAS 568553-72-0)
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- Erbium(III) perchlorate, 50% aqueous solution (99.9%-Er) (REO) (CAS 61565-07-9)
- 5'-Bromo-2H-[1,2'-bipyridin]-2-one (CAS 1241675-04-6)
- 2-((4-Methylbenzyl)thio)-4-(3-(trifluoromethyl)phenoxy)benzo[4,5]thieno[3,2-d]pyrimidine (CAS 478030-10-3)
- Methyl 3-hydroxy-6-methoxyquinoline-4-carboxylate (CAS 1263284-48-5)
- 76261-97-7 9-Heptadecenoic acid, (E)- CTK2G0715 (CAS 76261-97-7)
- D-Glucopyranuronic Acid Methyl Ester (CAS 82228-14-6)
- 2-Methoxynaphthalen-1-yl acetate (CAS 27581-07-3)
- Ornidazole Impurity 97 (CAS CATO-C4X-133197)
- Compstatin control peptide (CAS 301544-78-5)
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