2-({5-[(4-chloro-3-methyl-1h-pyrazol-1-yl)methyl]-4-ethyl-4h-1,2,4-triazol-3-yl}sulfanyl)propanoic acid CAS 1006320-09-7
| CAS No. | 1006320-09-7 |
| Molecular Formula | C12H16ClN5O2S |
| Molecular Weight | 329.81 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 2-({5-[(4-chloro-3-methyl-1h-pyrazol-1-yl)methyl]-4-ethyl-4h-1,2,4-triazol-3-yl}sulfanyl)propanoic acid.
2-({5-[(4-chloro-3-methyl-1h-pyrazol-1-yl)methyl]-4-ethyl-4h-1,2,4-triazol-3-yl}sulfanyl)propanoic acid (CAS 1006320-09-7), molecular formula C12H16ClN5O2S and molecular weight 329.81 g/mol, is a CATO reference standard with documented purity and traceability.
2-({5-[(4-chloro-3-methyl-1h-pyrazol-1-yl)methyl]-4-ethyl-4h-1,2,4-triazol-3-yl}sulfanyl)propanoic acid (C12H16ClN5O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
CATO manufactures 2-({5-[(4-chloro-3-methyl-1h-pyrazol-1-yl)methyl]-4-ethyl-4h-1,2,4-triazol-3-yl}sulfanyl)propanoic acid 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 | C12H16ClN5O2S |
| Molecular Weight | 329.81 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2,3-Dibromo-5-(bromomethyl)pyridine (CAS 1003859-12-8)
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- 3,4,5-Tribromo-2-methylpyridine (CAS 1188140-82-0)
- 1-Piperidinecarboxylic acid, 4-(phenylsulfonyl)-, 1,1-dimethylethyl ester (CAS 400729-18-2)
- 5-Bromo-4-cyclopropyl-6-ethoxypyrimidine (CAS 1649454-59-0)
- (E)-1-(4-aminophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one (CAS 952578-21-1)
- Cyclohexylmethyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside (CAS 260804-64-6)
- 2-Hydrazinyl-1-isopentyl-1H-benzo[d]imidazole (CAS 615281-73-7)
- 1-(1H-benzo[d]imidazol-2-yl)-3-methyl-1H-pyrazol-5-ol (CAS 516455-57-5)
- Afoxolaner Impurity 28 (CAS 1308362-48-2)
- Nonadecanoic Acid Methyl Ester (CAS 1731-94-8)
- 4-(1-(2,2-Diphenylhydrazineylidene)ethyl)phenol (CAS 380323-55-7)
- Semaglutide Impurity 123 (CAS 71997-93-8)
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