N-(Cyanomethyl)-2-((3-(4-fluorobenzyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-phenylacetamide CAS 851712-59-9
| CAS No. | 851712-59-9 |
| Molecular Formula | C25H19FN4O2S |
| Molecular Weight | 458.51 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(Cyanomethyl)-2-((3-(4-fluorobenzyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-phenylacetamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies N-(Cyanomethyl)-2-((3-(4-fluorobenzyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-phenylacetamide (CAS 851712-59-9), a certified reference material (molecular formula C25H19FN4O2S, MW 458.51 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, N-(Cyanomethyl)-2-((3-(4-fluorobenzyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-phenylacetamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 458.51 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
CATO manufactures N-(Cyanomethyl)-2-((3-(4-fluorobenzyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-phenylacetamide under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C25H19FN4O2S |
| Molecular Weight | 458.51 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related N Standards
- 2,2'-(5'-(4-(Cyanomethyl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diacetonitrile (CAS 2311888-44-3)
- (Cyanomethyl)(triphenylphosphine)gold (CAS 90142-80-6)
- N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-(4-propyl-1-piperazinyl)benzamide (CAS 354813-19-7)
- Cyanomethyl2,3,4,6-tetra-O-acetyl-β-D-thiogalactopyranoside (CAS 61145-33-3)
- N-(cyanomethyl)-4-(trifluoromethyl)-N-[4-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide (CAS 158062-72-7)
- (Cyanomethyl)(methyl)carbamic chloride (CAS 5524-30-1)
- 3-((3-(4-(Cyanomethyl)benzamido)phenyl)ethynyl)benzoic acid (CAS 1571122-40-1)
- N-(Cyanomethyl)-2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide (CAS 852687-58-2)
Recommended Standards
- 4,6-Bis((R)-4-phenyl-4,5-dihydrooxazol-2-yl)dibenzo[b,d]furan (CAS 2241935-88-4)
- N-[2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindolin-4-yl]-10-(hydroxyamino)-10-oxo-decanamide (CAS 2758388-37-1)
- 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one (CAS 487022-17-3)
- Ibrutinib Impurity 171 (CAS CATO-C4X-1064171)
- 3-Bromo-2,5,6-trifluorobenzonitrile (CAS 485318-78-3)
- MK-886 (CAS 118414-82-7)
- Ethyl 2-(5-methylthiophen-2-yl)acetate (CAS 53906-91-5)
- 1-Hydroxy-6-methoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (CAS 188726-45-6)
- N-Methyl-1-[4-(methylthio)phenyl]methanamine (CAS 84212-03-3)
- 2-(Difluoromethyl)-4-hydroxy-5-methoxy-3-methylpyridine (CAS 1805538-55-9)
- Indopanolol (CAS 69907-17-1)
- 2-(5-Bromo-2-oxochroman-4-yl)acetic acid (CAS 1334499-95-4)
- 4-Fluoro-N-(pivaloyloxy)benzamide (CAS 400076-38-2)
- Pancreatic Polypeptide (31-36) Free Acid, human (CAS 192432-73-8)
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