2-[2-(3-Oxobutyl)]-4-{4-[4-(4-hydroxyphenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4-triazol-3-one CAS 112559-69-0
| CAS No. | 112559-69-0 |
| Molecular Formula | C22H25N5O3 |
| Molecular Weight | 407.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies 2-[2-(3-Oxobutyl)]-4-{4-[4-(4-hydroxyphenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4-triazol-3-one (CAS 112559-69-0), a certified reference material (molecular formula C22H25N5O3, MW 407.47 g/mol) for analytical method development and quality control.
Structurally, 2-[2-(3-Oxobutyl)]-4-{4-[4-(4-hydroxyphenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4-triazol-3-one (C22H25N5O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 407.47 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), 2-[2-(3-Oxobutyl)]-4-{4-[4-(4-hydroxyphenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4-triazol-3-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C22H25N5O3 |
| Molecular Weight | 407.47 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 5 |
Related Oxobutyl Standards
- 2-[2-(3-Oxobutyl)]-4-{4-[4-(4-methoxyphenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4-triazol-3-one (CAS 250255-72-2)
- 5-Oxo-4-(3-oxobutyl)-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl benzoate (CAS 16006-73-8)
- 2-[[[3-[(1-Oxobutyl)amino]phenyl]amino]carbonyl]-cyclohexanecarboxylic acid (CAS 925576-29-0)
- 3-[4-(3-oxobutyl)phenoxymethyl]benzoic acid (CAS 1016797-44-6)
- 1-Methyl-2-(3-oxobutyl)anthracene-9,10-dione (CAS 871577-15-0)
- (2-Oxobutyl)(triphenylphosphine)gold (CAS 53224-09-2)
- 4-(4-(3-Oxobutyl)phenoxy)benzonitrile (CAS 189120-04-5)
- 2-(2-Acetyl-3-oxobutyl)-2,3-dihydro-1h-isoindole-1,3-dione (CAS 41935-27-7)
Recommended Standards
- 8-(4-(1-Aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one (CAS 1032349-93-1)
- 2-(1,1-Dimethylethyl)-2,6-dihydro-1-(1H-indazol-5-ylcarbonyl)spiro[piperidine-4,5(7H)-pyrano[3,2-c]pyrazol]-7-one (CAS 1197815-64-7)
- Fmoc-Pro-D-Ala-NH2 (CAS CATO-CPTD788344)
- 1-(4-Methoxy-2-methylphenyl)-3-{1-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl}urea (CAS 1396634-44-8)
- N-(2-iodophenyl)cyclopentanecarboxamide (CAS 801250-91-9)
- 1-(Methyl-D3)-4-nitro-3-propyl-1H-pyrazole-5-carboxylic Acid (CAS 526203-29-2)
- 4-bromopyridine-2,5-diamine (CAS 1806851-06-8)
- 2-(2-Fluorophenoxy)-n'-hydroxyethanimidamide (CAS 1016817-25-6)
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- 2,4,6-Tris(4-fluorophenyl)phosphinine (CAS 62496-86-0)
- 3-(1H-Pyrrolo[2,3-b]pyridin-1-yl)aniline (CAS 1707374-62-6)
- (R)-3-Amino-2-methylpropanoic acid (CAS 2140-95-6)
- Canagliflozin Impurity 97 (CAS CATO-C4X-112397)
- Gastrin Tetrapeptide (CAS 1947-37-1)
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