N-(2-fluorophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide CAS 1040633-70-2
| CAS No. | 1040633-70-2 |
| Molecular Formula | C21H16FN3O2S2 |
| Molecular Weight | 425.50 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 N-(2-fluorophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide.
N-(2-fluorophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide (CAS 1040633-70-2), molecular formula C21H16FN3O2S2 and molecular weight 425.50 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of N-(2-fluorophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide (C21H16FN3O2S2) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C21H16FN3O2S2 |
| Molecular Weight | 425.50 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related N Standards
- N-(4-Fluorophenyl)-2-({3-methyl-4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide (CAS 1040633-82-6)
- 2-(3-(4-(4-Fluorophenyl)piperazin-1-yl)propyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide (CAS 127625-29-0)
- 2-{[(4-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-6,7-dimethoxy-3,4-dihydroquinazolin-4-imine (CAS 477848-68-3)
- N-(2-((4-Fluorophenyl)sulfonyl)-2-(thiophen-2-yl)ethyl)benzenesulfonamide (CAS 896346-72-8)
- 2-(4-Fluorophenyl)-3,8-dioxo-7-(4-(trifluoromethyl)phenyl)-2,3,7,8-tetrahydropyrido[3,4-c]pyridazine-4-carbonitrile (CAS 400736-63-2)
- N-(4-fluorophenyl)-3-(4-nitro-3-(trifluoromethyl)phenoxy)thiophene-2-carboxamide (CAS 306977-62-8)
- N-(4-(4-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenyl)benzenesulfonamide (CAS 917747-54-7)
- 7-(2-Fluorophenyl)-2-(4-(2-fluorophenyl)piperazin-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one (CAS 1242857-96-0)
Recommended Standards
- 2-({[3,5-bis(methoxycarbonyl)-4-methylthien-2-yl]sulfonyl}amino)-4-(methylthio)butanoic acid (CAS 1008016-91-8)
- Fmoc-N-Me-Asp(OtBu)-OH (CAS 152548-66-8)
- 6-Bromo-2-(3-bromophenyl)quinoline-4-carbonyl chloride (CAS 1160253-07-5)
- H-Gly-Pro-Arg-Pro-OH (CAS 67869-62-9)
- 4-nitro-3-propyl-1H-pyrazole (CAS 1007069-60-4)
- Methyl 5-Bromo-2,2-dimethoxypentanoate (CAS 85864-31-9)
- 1-Bromo-2-ethynyl-4-methoxybenzene (CAS 1011736-13-2)
- 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CAS 790267-88-8)
- [1,2,4]triazolo[4,3-c]pyrimidine-3-carboxylic acid (CAS 1850867-22-9)
- (3S,4S)-4-methylpiperidin-3-ol (CAS 1103573-52-9)
- Methyl 3-(4-fluorophenyl)propanoate (CAS 2928-14-5)
- rel-(3R,4R)-4-(2,2-Difluoroethoxy)-1-methylpyrrolidin-3-ol (CAS 2368911-04-8)
- trans-1,3-dihydroxycyclobutane-1-carboxylic acid (CAS 2227198-71-0)
- Tau Peptide (306-317) trifluoroacetate salt (CAS 1003007-59-7)
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