4-[(2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl)amino]cyclohexan-1-ol CAS 393856-87-6
| CAS No. | 393856-87-6 |
| Molecular Formula | C18H31ClN4O |
| Molecular Weight | 354.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 354.92 g/mol gives 4-[(2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl)amino]cyclohexan-1-ol distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-[(2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl)amino]cyclohexan-1-ol (CAS 393856-87-6) is a high-purity analytical reference standard with the molecular formula C18H31ClN4O and a molecular weight of 354.92 g/mol.
Structurally, 4-[(2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl)amino]cyclohexan-1-ol (C18H31ClN4O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 354.92 g/mol, it falls into the moderately-high-molecular-weight range. 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 4-[(2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl)amino]cyclohexan-1-ol 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 | C18H31ClN4O |
| Molecular Weight | 354.92 g/mol |
| Appearance | Off-white to pale 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
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