1-[(4-Chlorophenyl)methyl]-3-[4-(prop-2-en-1-yl)-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one CAS 400075-03-8
| CAS No. | 400075-03-8 |
| Molecular Formula | C20H17ClN4OS |
| Molecular Weight | 396.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-[(4-Chlorophenyl)methyl]-3-[4-(prop-2-en-1-yl)-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one.
1-[(4-Chlorophenyl)methyl]-3-[4-(prop-2-en-1-yl)-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one (CAS 400075-03-8), molecular formula C20H17ClN4OS and molecular weight 396.89 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-[(4-Chlorophenyl)methyl]-3-[4-(prop-2-en-1-yl)-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one (C20H17ClN4OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 1-[(4-Chlorophenyl)methyl]-3-[4-(prop-2-en-1-yl)-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one 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 | C20H17ClN4OS |
| Molecular Weight | 396.89 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 1-(4-Chlorophenyl)-3-(4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl)urea (CAS 866039-18-1)
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Recommended Standards
- 2-Chloro-1-{2,5-dimethyl-1-[3-(morpholine-4-sulfonyl)phenyl]-1h-pyrrol-3-yl}ethan-1-one (CAS 568555-78-2)
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- N-(3-Chloro-4-fluorophenyl)-2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 562046-16-6)
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- 4-(3-Methoxyphenyl)but-3-yn-1-ol (CAS 92587-68-3)
- 6-(Benzyloxy)-5-nitrosopyrimidine-2,4-diamine (CAS 101724-61-2)
- 6-(2,4-Dichlorophenyl)imidazo[2,1-b]thiazole (CAS 120123-67-3)
- 2-(((Benzyloxy)carbonyl)amino)-2-(3-chlorophenyl)acetic acid (CAS 94207-35-9)
- 8-Chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine 929000-42-0 C7H6ClN3 V9223 (CAS 929000-42-0)
- 5'-Chloro-5'-deoxy-2',3'-O-isopropylideneadenosine (CAS 24514-56-5)
- 3-Bromo-2-(methylthio)pyridine (CAS 51933-77-8)
- 4-amino-N-[2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindolin-4-yl]butanamide (CAS 2353563-41-2)
- 3-methoxyazetidine-3-carboxylic acid hydrochloride (CAS 1392804-40-8)
- Peptide YY (13-36) (canine, mouse, porcine, rat) (CAS 86895-09-2)
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