2-((4-(Phenylthio)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)oxy)benzoic acid CAS 63545-92-6
| CAS No. | 63545-92-6 |
| Molecular Formula | C21H20N4O3S |
| Molecular Weight | 408.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-((4-(Phenylthio)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)oxy)benzoic acid (C21H20N4O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 408.47 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies 2-((4-(Phenylthio)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)oxy)benzoic acid (CAS 63545-92-6), a certified reference material (molecular formula C21H20N4O3S, MW 408.47 g/mol) for analytical method development and quality control.
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 | C21H20N4O3S |
| Molecular Weight | 408.47 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1975 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-((3-Methoxyphenyl)amino)-2-oxo-1-phenylethyl 2-(methylthio)nicotinate (CAS 732260-89-8)
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- 1-(sec-Butyl)-2-imino-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 606964-71-0)
- 2-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 2092501-01-2)
- 1-(2-((1H-Benzo[d][1,2,3]triazol-1-yl)methoxy)phenyl)ethanone (CAS 650616-35-6)
- 2-Aminobenzothiazole-6-carbonitrile (CAS 19759-66-1)
- 2-[2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]ethan-1-amine hydrochloride (CAS 1135279-92-3)
- 1,3,6,8-Tetrakis[p-benzoic acid]pyrene (CAS 933047-52-0)
- Barium calcium tungsten oxide 99.9% trace metals basis (CAS 15552-14-4)
- 5-(1-Benzoyl-1H-pyrazol-3-yl)-2-phenyl-1,3-thiazole (CAS 318256-00-7)
- (R)-4,4-Difluoro-1,2,3,4-tetrahydronaphthalen-1-amine (CAS 1266231-89-3)
- 2,6-Di-tert-butylpyridine, polymer-bound (CAS 107054-29-5)
- 2-Cyclopropylthiophene-3-carbonitrile (CAS 2654087-86-0)
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