Methyl 2-((3-cyano-4-(4-fluorophenyl)pyridin-2-yl)thio)benzoate CAS 478245-93-1
| CAS No. | 478245-93-1 |
| Molecular Formula | C20H13FN2O2S |
| Molecular Weight | 364.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 2-((3-cyano-4-(4-fluorophenyl)pyridin-2-yl)thio)benzoate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 2-((3-cyano-4-(4-fluorophenyl)pyridin-2-yl)thio)benzoate (CAS 478245-93-1) is a high-purity analytical reference standard with the molecular formula C20H13FN2O2S and a molecular weight of 364.39 g/mol.
Structurally, Methyl 2-((3-cyano-4-(4-fluorophenyl)pyridin-2-yl)thio)benzoate (C20H13FN2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 364.39 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.
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 Methyl 2-((3-cyano-4-(4-fluorophenyl)pyridin-2-yl)thio)benzoate 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 | C20H13FN2O2S |
| Molecular Weight | 364.39 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; 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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