4-(3-Heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-methylbenzenesulfonic acid CAS 63217-34-5
| CAS No. | 63217-34-5 |
| Molecular Formula | C27H44N2O4S |
| Molecular Weight | 492.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(3-Heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-methylbenzenesulfonic acid is closely related to a steroid 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.
4-(3-Heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-methylbenzenesulfonic acid (CAS 63217-34-5), molecular formula C27H44N2O4S and molecular weight 492.71 g/mol, is a CATO reference standard with documented purity and traceability.
4-(3-Heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-methylbenzenesulfonic acid (C27H44N2O4S) contains a steroid 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.
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.
As a certified reference material (CRM), 4-(3-Heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-methylbenzenesulfonic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C27H44N2O4S |
| Molecular Weight | 492.71 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1975 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Heptadecyl Standards
- 4-(3-Heptadecyl-4-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 51929-92-1)
- 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-3-ium chloride (CAS 1452-34-2)
- 3-(3-(3-Heptadecyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)ureido)benzene-1-sulfonyl fluoride (CAS 23455-88-1)
- 3-(2-(2-Heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy)propanoic acid (CAS 30342-62-2)
- 3-Heptadecyl-4-methyl-1-phenyl-1H-pyrazol-5(4H)-one (CAS 111989-07-2)
- 4-Heptadecyl-7-hydroxy-2H-chromen-2-one (CAS 26038-83-5)
- Heptadecyl 2-acetamido-3-4-6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside (CAS 262856-89-3)
- 2-Heptadecyl-6-methoxycyclohexa-2,5-diene-1,4-dione (CAS 78472-08-9)
Recommended Standards
- VPhos (CAS 1848244-75-6)
- 3,4-Dichloro-N-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)-N-(4-methoxyphenyl)benzamide (CAS 956368-40-4)
- 3-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)-1-(3,4-dichlorophenyl)urea (CAS 338406-97-6)
- Novaluron (CAS 116714-46-6)
- 3-Chloro-7-(piperidin-1-yl)-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 1437453-83-2)
- 4-Chloro-3-(methylthio)phenol (CAS 473255-64-0)
- 1,8-Difluoronaphthalene, 97% (CAS 30389-93-6)
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