Isobutyl 7-methyl-3-oxo-2-(2-oxo-1-propylindolin-3-ylidene)-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS 618078-19-6
| CAS No. | 618078-19-6 |
| Molecular Formula | C27H27N3O4S2 |
| Molecular Weight | 521.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Isobutyl 7-methyl-3-oxo-2-(2-oxo-1-propylindolin-3-ylidene)-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Isobutyl 7-methyl-3-oxo-2-(2-oxo-1-propylindolin-3-ylidene)-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 618078-19-6), molecular formula C27H27N3O4S2 and molecular weight 521.65 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C27H27N3O4S2, Isobutyl 7-methyl-3-oxo-2-(2-oxo-1-propylindolin-3-ylidene)-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 521.65 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C27H27N3O4S2 |
| Molecular Weight | 521.65 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Isobutyl Standards
- Isobutyl 2-(1-allyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 618077-83-1)
- Isobutyl 2-(1-butyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 618078-05-0)
- Isobutyl 2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 618078-08-3)
- Isobutyl 7-methyl-2-(1-methyl-2-oxoindolin-3-ylidene)-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 618078-11-8)
- 3-Isobutyl-5-((3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 623933-10-8)
- Ethyl 2-(2-Isobutyl-6-quinolyloxy-8-p-toluenesulfonamido)acetate (CAS 316124-91-1)
- 2-((3-Isobutyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide (CAS 882083-32-1)
- 2-((4-Isobutyl-5-(3-(morpholinosulfonyl)phenyl)-4h-1,2,4-triazol-3-yl)thio)acetic acid (CAS 743457-07-0)
Recommended Standards
- BI-2536, >98% (HPLC) (CAS 755038-02-9)
- Isopropyl 2-(1-butyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 618077-95-5)
- 2-(5-((3-(4-(Hexyloxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (CAS 955893-04-6)
- N-(2-Ethoxyphenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 477331-41-2)
- Ethyl 6-fluoro-8-methyl-4-thioxo-1,4-dihydroquinoline-3-carboxylate (CAS 1315346-05-4)
- Ethyl 3-methylisoxazole-4-carboxylate (CAS 20328-15-8)
- 4-(4-Chlorophenyl)-5-[1-(dimethylamino)ethyl]-4h-1,2,4-triazole-3-thiol (CAS 750599-16-7)
- Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-α-D-mannopyranoside (CAS 108032-93-5)
- 2-Chloro-3-nitropyridine-4-carboxamide (CAS 1224636-91-2)
- trans-tert-Butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate (CAS 869481-93-6)
- 2-(4-Phenoxybenzoyl)oxazole (CAS 898759-95-0)
- 1-(1-Methyl-3-phenylpiperazin-2-yl)ethanone (CAS 960403-88-7)
- 2-(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)ethan-1-amine (CAS 872107-74-9)
- Semaglutide impurity 67 (CAS CATO-C4X-222667)
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