5-(4-(Dimethylamino)benzylidene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione CAS 86872-80-2
| CAS No. | 86872-80-2 |
| Molecular Formula | C25H21N3O2S |
| Molecular Weight | 427.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-(4-(Dimethylamino)benzylidene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 86872-80-2) is a high-purity analytical reference standard with the molecular formula C25H21N3O2S and a molecular weight of 427.52 g/mol.
Structurally, 5-(4-(Dimethylamino)benzylidene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (C25H21N3O2S) 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 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 427.52 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 | C25H21N3O2S |
| Molecular Weight | 427.52 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 |
| Degree of Unsaturation (DBE) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1981 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Dimethylamino Standards
- 5-Benzyl-3-(4-(dimethylamino)phenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 308101-48-6)
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Recommended Standards
- 5-(3-(1H-Pyrrol-1-yl)-4-(m-tolyl)thiophen-2-yl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole (CAS 950266-00-9)
- Ethyl 2-((3-(2-(4-methylbenzamido)ethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate (CAS 872995-37-4)
- 2-(4-Oxo-5-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-3-yl)acetic acid (CAS 623934-95-2)
- Moracizine (CAS 31883-05-3)
- 4-(4-Benzylpiperazin-1-yl)-3-bromobenzonitrile (CAS 1260652-69-4)
- 1-(M-tolyl)pentan-1-one (CAS 20359-57-3)
- 4,5-Dichloro-2-(isoxazol-5-yl)phenol (CAS 288401-46-7)
- 4-(2-Pyrimidinyloxy)aniline (CAS 105130-26-5)
- 5-Aminobenzo[d]thiazole-2(3H)-thione (CAS 52386-09-1)
- 2-Bromo-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (CAS 1352723-51-3)
- 4-Amino-5-carbamoyl-1,2-dimethyl-2,5-dihydro-1H-pyrazole-3-carboxylic acid (CAS 265663-74-9)
- 3-Chloro-4-(difluoromethyl)pyridine (CAS 1374659-44-5)
- [2-bromo-5-(trifluoromethoxy)phenyl]methanol (CAS 886763-15-1)
- Gastric Inhibitory Polypeptide (human) (CAS 100040-31-1)
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