2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide CAS 442656-29-3
| CAS No. | 442656-29-3 |
| Molecular Formula | C17H15FN4OS2 |
| Molecular Weight | 374.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide (CAS 442656-29-3), a certified reference material (molecular formula C17H15FN4OS2, MW 374.46 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 374.46 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C17H15FN4OS2 |
| Molecular Weight | 374.46 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Related Allyl Standards
- 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluorophenyl)acetamide (CAS 442631-28-9)
- N-Allyl-2-methylaniline (CAS 15316-91-3)
- MEthyl-(allyl 2,3,4-tetra-o-acetyl-beta-d-galactopyranosid)uronate (CAS 130506-36-4)
- 2-((4-Allyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide (CAS 578697-46-8)
- 2-((4-Allyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide (CAS 575470-78-9)
- 3-Allyl-4-[(4-bromobenzyl)oxy]-5-ethoxybenzaldehyde (CAS 428466-30-2)
- 1-Allyl-N-(furan-2-ylmethyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 510761-25-8)
- N1-Allyl-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide (CAS 872986-57-7)
Recommended Standards
- 1-[2-[[5-Methyl-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-4-piperidinecarboxylic acid (CAS 731801-12-0)
- (4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-1-[(4-methylpiperazin-1-yl)methyl]-2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-5-one (CAS 865659-62-7)
- 2,2-Diphenyl-N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)acetamide (CAS 952996-96-2)
- 3-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine (CAS 134789-92-7)
- 2’-Methoxy-6’-(4-methoxybenzyloxy)acetophenone (CAS 1234015-61-2)
- N-((2-(4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzamido)phenyl)sulfonyl)-1-naphthamide (CAS 1312008-05-1)
- N1-Benzyl-N2-(5-hydroxy-3-phenylpentyl)oxalamide (CAS 1798672-39-5)
- 5-Amino-2-nitrobenzamide (CAS 73536-37-5)
- 6-iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS 1638763-31-1)
- Vinyl acetate-crotonic acid-vinyl neodecanoate terpolymer (CAS 58748-38-2)
- 2-Oxo-2-phenylethanethioamide (CAS 4602-31-7)
- 3-Amino-1-methyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one (CAS 3190-32-7)
- 5-Ethynyl-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid (CAS 800401-56-3)
- Angiotensin III Antipeptide (CAS 133605-55-7)
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