3-[1-(3-Chloro-4-fluorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 1775383-18-0
| CAS No. | 1775383-18-0 |
| Molecular Formula | C21H20ClFN4O2 |
| Molecular Weight | 414.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3-[1-(3-Chloro-4-fluorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775383-18-0), a certified reference material (molecular formula C21H20ClFN4O2, MW 414.86 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 3-[1-(3-Chloro-4-fluorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 414.86 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.
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 | C21H20ClFN4O2 |
| Molecular Weight | 414.86 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related Chloro Standards
- 3-[1-(2-Chloro-4-fluorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775312-36-1)
- 3-[1-(5-Chloro-2-fluorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775450-81-1)
- 10-(2-Chloro-6-fluorophenyl)-14,14-dimethyl-12-oxo-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid (CAS 946386-64-7)
- 2-Chloro-N-(2-((2-cyano-4-nitrophenyl)diazenyl)-5-(diethylamino)phenyl)acetamide (CAS 64294-88-8)
- 3-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-methyl-1-(4-methylbenzyl)-1H-indole (CAS 344277-79-8)
- Ethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}-4-(methylsulfanyl)butanoate (CAS 1008931-50-7)
- N-(3-Chloro-4-fluorophenyl)-2-({4-[(E)-[(2-hydroxyphenyl)methylidene]amino]phenyl}sulfanyl)acetamide (CAS 882080-08-2)
- 4-Chloro-6-{4-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-3-yl]piperidin-1-yl}pyrimidin-2-amine (CAS 1026092-90-9)
Recommended Standards
- 3-(3-(Chloromethyl)-1,2,4-oxadiazol-5-yl)-N-(4-(morpholinosulfonyl)phenyl)propanamide (CAS 1432436-89-9)
- Isobutyl (2-chloropyridin-3-yl)sulfonyl(3-methoxy-5-methylpyrazin-2-yl)carbamate (CAS 186497-45-0)
- 2,4,6-tribromo-1-trifluoromethylthiobenzene (CAS 1215205-79-0)
- (E)-{[6-(4-chlorobenzenesulfinyl)pyridin-3-yl]methylidene}amino 4-methoxybenzoate (CAS 338967-11-6)
- 2-(4-Hydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one (CAS 16290-50-9)
- 1,1'-(5-Methyl-1H-indazole-1,4-diyl)diethanone (CAS 1415838-36-6)
- 2,5-Dichloro-3-fluoroanisole (CAS 1806349-42-7)
- 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide (CAS 1182992-49-9)
- (6S,9R)-6-(4-Hydroxybenzyl)-2,2,9-trimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oic acid (CAS 64410-47-5)
- 3-Chloro-2-(4-chlorophenyl)-4,4,4-trifluorobut-2-enal (CAS 185389-58-6)
- 3-Methyl-1-phenylbutan-2-one (CAS 2893-05-2)
- N-(4-Piperidinyl)tetrahydro-2H-pyran-4-carboxamide hydrochloride (CAS 1220031-94-6)
- N-Dodecanoyl-Valinemonosodiumsalt (CAS 37869-33-3)
- D-Leu14-Tirzepatide (CAS CATO-CPTD788920)
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