1-((2-chlorothiazol-5-yl)methyl)-3-(3-(5-fluoropyrimidin-2-yl)phenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-1-ium-2-olate CAS 3060345-81-2
| CAS No. | 3060345-81-2 |
| Molecular Formula | C23H15ClFN5O2S |
| Molecular Weight | 479.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-((2-chlorothiazol-5-yl)methyl)-3-(3-(5-fluoropyrimidin-2-yl)phenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-1-ium-2-olate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-((2-chlorothiazol-5-yl)methyl)-3-(3-(5-fluoropyrimidin-2-yl)phenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-1-ium-2-olate (CAS 3060345-81-2), molecular formula C23H15ClFN5O2S and molecular weight 479.91 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C23H15ClFN5O2S, 1-((2-chlorothiazol-5-yl)methyl)-3-(3-(5-fluoropyrimidin-2-yl)phenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-1-ium-2-olate contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 479.91 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 1-((2-chlorothiazol-5-yl)methyl)-3-(3-(5-fluoropyrimidin-2-yl)phenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-1-ium-2-olate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C23H15ClFN5O2S |
| Molecular Weight | 479.91 g/mol |
| Purity | >95% |
| 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2005 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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Recommended Standards
- Triundecylamine (CAS 42910-16-7)
- PF-06273340 (CAS 1402438-74-7)
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- NVS-PAK1-1 (CAS 1783816-74-9)
- 81028-03-7 cis-2-Buten-1,4-diol-monobenzyl ether cis-4-Benzyloxy-2-buten-1-ol (CAS 81028-03-7)
- 4-(1,3-Dioxolan-2-yl)hexan-1-ol (CAS 139133-21-4)
- 1-(4-Bromophenyl)propan-2-amine (CAS 13235-83-1)
- Methyl cyclohex-2-ene-1-carboxylate (CAS 25662-37-7)
- 5-chloro-3-nitro-1H-pyrrolo[3,2-b]pyridine (CAS 1116136-63-0)
- (3AR,7S,7aS)-7-hydroxy-2,2-dimethyltetrahydro-6H-[1,3]dioxolo[4,5-c]pyran-6-one (CAS 84772-89-4)
- Methyl 5-[2-[Benzyl(tert-butyl)amino]acetyl]-2-hydroxybenzoate Hydrochloride methyl 5-[2-[benzyl(tert-butyl)amino]acetyl]-2-hydroxybenzoate;hydrochloride 27475-26-9 (CAS 27475-26-9)
- methyl 3-ethoxy-4-formylbenzoate (CAS 1357352-32-9)
- 6-Methyl-1H-imidazo[1,2-b]pyrazole-1-carbaldehyde (CAS 135829-75-3)
- Des-[Oct-γ-Glu-AEEA-AEEA]-Semaglutide (CAS CATO-C4X-2226112)
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