2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide CAS 332948-45-5
| CAS No. | 332948-45-5 |
| Molecular Formula | C27H21ClN4O2S |
| Molecular Weight | 501.00 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 501.00 g/mol gives 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide (CAS 332948-45-5) is a high-purity analytical reference standard with the molecular formula C27H21ClN4O2S and a molecular weight of 501.00 g/mol.
Structurally, 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide (C27H21ClN4O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 19.0, corresponding to approximately 19 ring(s) or double-bond equivalent(s). With a molecular weight of 501.00 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C27H21ClN4O2S |
| Molecular Weight | 501.00 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) | 19.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Chlorophenoxy Standards
- 8-((4-chlorophenoxy)(phenyl)methylene)-2,4-diphenyl-5,6,7,8-tetrahydroquinoline (CAS 89409-21-2)
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- 2-((4-Butyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide (CAS 720667-82-3)
- Methyl 2-(2-(4-chlorophenoxy)acetamido)-5-((2,4-dimethylphenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 332923-64-5)
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Recommended Standards
- Dalilesen Impurity 19 (CAS CATO-C4X-301019)
- Fmoc-Lys(Boc)-COCH2Cl (CAS 625090-55-3)
- 8-Chloro-2-phenyl-3-((1S)-1-((9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)amino)ethyl)isoquinolin-1(2H)-one (CAS 1350643-73-0)
- 7-Chloro-2-(3-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl)isoindolin-1-one (CAS 913064-47-8)
- (4-(Dimethoxymethyl)pyridin-2-yl)dimethylphosphine oxide (CAS 2648961-08-2)
- (R)-1-(benzo[b]thiophen-3-yl)ethanol (CAS 887256-60-2)
- (4-Bromo-1-ethyl-1H-pyrazol-5-yl)methanol (CAS 1310379-45-3)
- 2-(Cyclohexyloxy)-4-iodophenol (CAS 1243381-04-5)
- (((((2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)methyl)phosphonic phosphoric anhydride (CAS 14997-54-7)
- 2-Bromo-3,4-difluorobenzenesulfonyl chloride (CAS 1349717-41-4)
- Gefitinib Impurity 97 (CAS CATO-C4X-111797)
- 4-(((4-Bromophenyl)imino)methyl)-2-methoxyphenol (CAS 3382-70-5)
- [2-Ethoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol (CAS 2098425-82-0)
- Peptide 432 (CAS CATO-CPTD788432)
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