3-(6-(4-Chloro-3-ethylphenoxy)hexyl)-2-(4-chlorophenyl)quinazolin-4(3H)-one CAS 4641-33-2
| CAS No. | 4641-33-2 |
| Molecular Formula | C28H28Cl2N2O2 |
| Molecular Weight | 495.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3-(6-(4-Chloro-3-ethylphenoxy)hexyl)-2-(4-chlorophenyl)quinazolin-4(3H)-one (C28H28Cl2N2O2) 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 its high hydrophobicity (logP), 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.
CATO supplies 3-(6-(4-Chloro-3-ethylphenoxy)hexyl)-2-(4-chlorophenyl)quinazolin-4(3H)-one (CAS 4641-33-2), a certified reference material (molecular formula C28H28Cl2N2O2, MW 495.44 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 | C28H28Cl2N2O2 |
| Molecular Weight | 495.44 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 2-(4-Chlorophenyl)-5-nitropyridine (CAS 874492-01-0)
- 1-(Methylamino)-3-(1h-pyrazol-1-yl)cyclohexane-1-carboxylic acid (CAS 1504475-49-3)
- 0247AD 1-(2-Naphthylmethyl)piperidine-4-carboxylic acid hydrochloride 1185295-70-8 C17H20ClNO2 (CAS 1185295-70-8)
- (R)-1-(2-Ethynylpiperidin-1-yl)ethan-1-one (CAS 128960-03-2)
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