1-(2-{[4-(3-chloro-4-methoxyphenyl)-5-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid CAS 731801-15-3
| CAS No. | 731801-15-3 |
| Molecular Formula | C23H23ClN4O4S |
| Molecular Weight | 486.97 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.
1-(2-{[4-(3-chloro-4-methoxyphenyl)-5-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid (CAS 731801-15-3), molecular formula C23H23ClN4O4S and molecular weight 486.97 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(2-{[4-(3-chloro-4-methoxyphenyl)-5-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid (C23H23ClN4O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 486.97 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.
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 | C23H23ClN4O4S |
| Molecular Weight | 486.97 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related chloro Standards
- 1-Chloro-4-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutoxy)-1,1,2,2,3,3,4,4-octafluorobutane (CAS 149697-40-5)
- Methyl 2-(2-(4-chloro-2-methylphenoxy)acetamido)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate (CAS 504431-95-2)
- 6-Chloro-3-(2-methylpyridin-4-yl)-1-trityl-1H-pyrazolo[4,3-c]pyridine (CAS 1431719-89-9)
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Recommended Standards
- (3-Amino-4-((4-chlorophenyl)sulfonyl)-5-((2-fluorophenyl)amino)thiophen-2-yl)(phenyl)methanone (CAS 890817-67-1)
- Methyl 2-(2-(4-chlorophenoxy)acetamido)-5-((2,4-dimethylphenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 332923-64-5)
- 1,1,1,5,5,5-Hexamethyl-3-(2-(triethoxysilyl)ethyl)-3-((trimethylsilyl)oxy)trisiloxane (CAS 1356114-66-3)
- Methyl 2-(2-(4-chlorophenyl)acetamido)-5-((2-ethoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 335409-31-9)
- N-(3-Azidopropyl)biotinamide (CAS 908007-17-0)
- Ethyl 2-(4-((tert-butoxycarbonyl)amino)pyridin-3-yl)-2-oxoacetate (CAS 191338-96-2)
- (S)-2-Amino-1-(4-methoxymethyl-piperidin-1-yl)-propan-1-one (CAS 1354023-65-6)
- 3,3-difluoropiperidin-4-one;hydrochloride (CAS 1523618-12-3)
- 4-[(Isopropylamino)sulfonyl]benzoic Acid (CAS 10252-66-1)
- 3-aminobicyclo[1.1.1]pentane-1-carbonitrile hydrochloride (CAS 2170371-90-9)
- tert-Butyl 1,5-diazaspiro[3.4]octane-5-carboxylate (CAS 1334499-66-9)
- 1-(Aminomethyl)-3-ethylcyclohexan-1-ol (CAS 1340115-97-0)
- 1-Boc-7-Benzyloxy-3-bromoindole (CAS 914349-40-9)
- D-β-Asp9-Tirzepatide (CAS CATO-CPTD788932)
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