N-((5-(4-Fluorophenyl)isoxazol-3-yl)methyl)-2-(thiophen-2-yl)acetamide CAS 953181-64-1
| CAS No. | 953181-64-1 |
| Molecular Formula | C16H13FN2O2S |
| Molecular Weight | 316.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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 supplies N-((5-(4-Fluorophenyl)isoxazol-3-yl)methyl)-2-(thiophen-2-yl)acetamide (CAS 953181-64-1), a certified reference material (molecular formula C16H13FN2O2S, MW 316.35 g/mol) for analytical method development and quality control.
Structurally, N-((5-(4-Fluorophenyl)isoxazol-3-yl)methyl)-2-(thiophen-2-yl)acetamide (C16H13FN2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 316.35 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 | C16H13FN2O2S |
| Molecular Weight | 316.35 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related N Standards
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- 3-(4-Fluorophenyl)-5-(o-tolylamino)thiazolidine-2,4-dione (CAS 1025499-75-5)
- 3-Benzyl-5-((4-fluorophenyl)amino)thiazolidine-2,4-dione (CAS 1093404-31-9)
- 3-(3-Fluorophenyl)-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-4-one (CAS 840463-11-8)
- 1-(4-Fluorophenyl)-2-phenylquinazolin-4(1H)-one (CAS 1098-24-4)
- 2-(2-((4-Fluorophenyl)sulfonamido)thiazol-4-yl)acetic acid (CAS 926202-75-7)
- 4-(2-Fluorophenyl)-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carbonitrile (CAS 371137-43-8)
Recommended Standards
- Methyl 4-(4-benzyl-3-hydroxyisoxazol-5-yl)piperidine-1-carboxylate (CAS 321904-89-6)
- N-(2-(5,8-Dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)cyclopropanecarboxamide (CAS 851403-52-6)
- Methyl 4-(3-(benzyloxy)isoxazol-5-yl)piperidine-1-carboxylate (CAS 841259-39-0)
- N-(3-Amino-2-methylphenyl)-3,4,5-trimethoxybenzamide (CAS 926233-49-0)
- 6-Hydroxyrubiadin (CAS 87686-86-0)
- 2-(Pyridin-4-ylmethoxy)isoindoline-1,3-dione (CAS 38939-64-9)
- 2-Hydroxy-N,N-dimethyl-3-(trifluoromethyl)benzamide (CAS 1243389-63-0)
- Benzbromarone Impurity 27 (CAS CATO-C4X-225027)
- Isoquinolin-8-yldimethylphosphine oxide (CAS 2741499-44-3)
- 4-Methyl-3-(3-oxo-3-phenylprop-1-en-1-yl)benzene-1-sulfonyl chloride (CAS 728864-86-6)
- 2-Methyl-6-nitro-4-(trifluoromethoxy)benzonitrile (CAS 1210892-33-3)
- 1-(3-Chloro-phenyl)-3-mercapto-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile (CAS 380443-05-0)
- (2E)-7-Chloro-2-{[(3-chlorophenyl)amino]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one (CAS 338417-09-7)
- Des-Pro-Pro-Tirzepatide (CAS CATO-CPTD788696)
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