4-(3,4-Dihydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide CAS 5985-95-5
| CAS No. | 5985-95-5 |
| Molecular Formula | C18H17N3O3S |
| Molecular Weight | 355.41 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 4-(3,4-Dihydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide.
CATO supplies 4-(3,4-Dihydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide (CAS 5985-95-5), a certified reference material (molecular formula C18H17N3O3S, MW 355.41 g/mol) for analytical method development and quality control.
Structurally, 4-(3,4-Dihydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide (C18H17N3O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 355.41 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.
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 | C18H17N3O3S |
| Molecular Weight | 355.41 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 |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 4-(3-(4-(4-Fluorophenyl)piperazin-1-yl)-2-hydroxypropoxy)benzonitrile (CAS 383147-03-3)
- 4-{3-[4-(2-Fluorophenyl)piperazino]-2-hydroxypropoxy}benzenecarbonitrile (CAS 383145-99-1)
- 3-Hydroxy-1-{5-hydroxy-3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-2-buten-1-one (CAS 245039-18-3)
- 4-Acetyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide (CAS 494189-46-7)
- 4,5-Dichloropyridine-3-sulfonyl chloride (CAS 1352498-23-7)
- Tert-butyl 4-(4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carboxylate (CAS 2058957-73-4)
- 2-(Difluoromethoxy)-1-fluoro-4-nitrobenzene (CAS 97963-50-3)
- Methyl 4-chloropyrazolo[1,5-a]pyrazine-6-carboxylate (CAS 2844455-41-8)
- 4-(Propylsulfonyl)-1-naphthaldehyde (CAS 1394021-12-5)
- 1-(2,2,2-Trifluoroethyl)-3,5-bis-(trifluoromethyl)benzene 1099597-83-7 8674AC C10H5F9 (CAS 1099597-83-7)
- 4-Methyl-3-(methylsulfonyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 116850-58-9)
- 3-(furan-2-yl)-6-(methylsulfanyl)pyridazine (CAS 872722-85-5)
- 1-Methyl-3,5-diphenylpyridazine-4(1H)-thione (CAS 59617-88-8)
- Cholecystokinin Octapeptide (desulfated) (CAS 25679-24-7)
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