| CAS No. | 1707566-52-6 |
| Molecular Formula | C18H21FN4 |
| Molecular Weight | 312.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 1-(2-Cyclopropyl-6-(4-fluorophenyl)pyrimidin-4-yl)-1,4-diazepane is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-(2-Cyclopropyl-6-(4-fluorophenyl)pyrimidin-4-yl)-1,4-diazepane (CAS 1707566-52-6), molecular formula C18H21FN4 and molecular weight 312.38 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(2-Cyclopropyl-6-(4-fluorophenyl)pyrimidin-4-yl)-1,4-diazepane (C18H21FN4) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 312.38 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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-Cyclopropyl-6-(4-fluorophenyl)pyrimidin-4-yl)-1,4-diazepane 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.
| Molecular Formula | C18H21FN4 |
| Molecular Weight | 312.38 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |