2-(Ethyl(3-((4-((1-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-4-yl)amino)quinazolin-7-yl)oxy)propyl)amino)ethyl dihydrogen phosphate CAS 786685-53-8
| CAS No. | 786685-53-8 |
| Molecular Formula | C26H31FN7O6P |
| Molecular Weight | 587.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(Ethyl(3-((4-((1-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-4-yl)amino)quinazolin-7-yl)oxy)propyl)amino)ethyl dihydrogen phosphate (CAS 786685-53-8), molecular formula C26H31FN7O6P and molecular weight 587.54 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a phosphate ester group, a hydroxyl group, an ether linkage, fluorine substitution, 2-(Ethyl(3-((4-((1-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-4-yl)amino)quinazolin-7-yl)oxy)propyl)amino)ethyl dihydrogen phosphate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 587.54 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C26H31FN7O6P |
| Molecular Weight | 587.54 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 14.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 7 |
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Recommended Standards
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- (R,Z)-Tributylstannyl 12-hydroxyoctadec-9-enoate (CAS 53478-61-8)
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- 3-Chlorofuran-2-acetic Acid (CAS 1378768-90-1)
- Methyl 2-(6-hydroxy-1H-indol-3-yl)acetate (CAS 116621-16-0)
- 4-Cyclopropoxy-2-isopropoxy-N-methylpyridin-3-amine (CAS 1243349-66-7)
- (1-Cyclopropylethyl)[(2,4-dimethoxyphenyl)methyl]amine (CAS 1155988-21-8)
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- 3-(4-Chlorophenyl)-4-(4-methoxybenzoyl)-1-phenylpyrrolidine (CAS 551921-54-1)
- Phenyl-(1-pyridin-4-yl-ethyl)-amine (CAS 152127-34-9)
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