1-(5-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)thiophen-2-yl)-2-(quinoxalin-2-ylthio)ethan-1-one CAS 339016-49-8
| CAS No. | 339016-49-8 |
| Molecular Formula | C21H13ClF3N3OS2 |
| Molecular Weight | 479.93 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-(5-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)thiophen-2-yl)-2-(quinoxalin-2-ylthio)ethan-1-one.
CATO supplies 1-(5-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)thiophen-2-yl)-2-(quinoxalin-2-ylthio)ethan-1-one (CAS 339016-49-8), a certified reference material (molecular formula C21H13ClF3N3OS2, MW 479.93 g/mol) for analytical method development and quality control.
Structurally, 1-(5-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)thiophen-2-yl)-2-(quinoxalin-2-ylthio)ethan-1-one (C21H13ClF3N3OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 479.93 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.
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.
As a certified reference material (CRM), 1-(5-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)thiophen-2-yl)-2-(quinoxalin-2-ylthio)ethan-1-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H13ClF3N3OS2 |
| Molecular Weight | 479.93 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Chloro Standards
- N-(3-chloro-2-methylphenyl)-2-((3-(furan-2-ylmethyl)-4-oxo-3,4-dihydrobenzofuro[3,2-d]pyrimidin-2-yl)thio)acetamide (CAS 902938-07-2)
- N-(4-Chloro-2-methoxy-5-methylphenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 477318-74-4)
- 2-Chloro-N-(2-(((5-oxo-2,3-dihydro-5H-thiazolo[2,3-b]quinazolin-3-yl)methyl)thio)phenyl)benzamide (CAS 477868-83-0)
- 3-Chloro-2-(3-(1-(phenylsulfonyl)-1H-pyrazol-3-yl)phenoxy)-5-(trifluoromethyl)pyridine (CAS 321385-86-8)
- 3-Chloro-N-(2-(((5-oxo-2,3-dihydro-5H-thiazolo[2,3-b]quinazolin-3-yl)methyl)thio)phenyl)benzamide (CAS 477868-82-9)
- N-(2-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)pyridin-3-yl)-4-fluorobenzamide (CAS 478262-13-4)
- Ethyl 2-{3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]pyridin-2-yl}acetate (CAS 338392-15-7)
- 2-((4-Chloro-N-(2,4-dichloro-5-isopropoxyphenyl)phenyl)sulfonamido)-N,N-dimethylacetamide (CAS 338967-44-5)
Recommended Standards
- NVS-PAK1-1 (CAS 1783816-74-9)
- 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-nitrophenyl)acetamide (CAS 332922-47-1)
- PF-06273340 (CAS 1402438-74-7)
- 3-(4-Chlorobenzenesulfonyl)-N-[(3-methoxyphenyl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine (CAS 895646-96-5)
- Ethyl 1-(pyridin-2-ylmethyl)piperidine-4-carboxylate (CAS 138030-53-2)
- [5,5'-Biisobenzofuran]-1,1',3,3'-tetraone (CAS 2420-87-3)
- 3-(Tert-butyl) 1-methyl (R)-piperazine-1,3-dicarboxylate (CAS 1337905-95-9)
- N-Ethyl-2-iodo-3-methylbenzamide (CAS 887234-47-1)
- Benzyl (2-aminoethyl)(ethyl)carbamate (CAS 126955-78-0)
- (2E)-5-(tert-Butyloxycarbonylamino)-5-methylhex-2-enoic Acid (CAS 181646-42-4)
- (E)-2-((4-(3-(4-Bromophenyl)allyl)piperazin-1-yl)methyl)-6-fluoroquinoline (CAS 1228095-73-5)
- Ethyl 6-bromo-4-chloro-7-methoxyquinoline-3-carboxylate (CAS 476194-45-3)
- 1-(3,5-Dichlorophenyl)-3-(o-tolyl)propan-1-one (CAS 898790-05-1)
- Semaglutide impurity 49 (CAS CATO-C4X-222649)
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