2-{2-[(1E)-{[(2-chloro-4-fluorophenyl)methoxy]imino}methyl]-1H-pyrrol-1-yl}-4-(dimethylamino)pyridine-3-carbonitrile CAS 303986-45-0
| CAS No. | 303986-45-0 |
| Molecular Formula | C20H17ClFN5O |
| Molecular Weight | 397.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-{2-[(1E)-{[(2-chloro-4-fluorophenyl)methoxy]imino}methyl]-1H-pyrrol-1-yl}-4-(dimethylamino)pyridine-3-carbonitrile (CAS 303986-45-0) is a high-purity analytical reference standard with the molecular formula C20H17ClFN5O and a molecular weight of 397.83 g/mol.
Structurally, 2-{2-[(1E)-{[(2-chloro-4-fluorophenyl)methoxy]imino}methyl]-1H-pyrrol-1-yl}-4-(dimethylamino)pyridine-3-carbonitrile (C20H17ClFN5O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 397.83 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.
As a certified reference material (CRM), 2-{2-[(1E)-{[(2-chloro-4-fluorophenyl)methoxy]imino}methyl]-1H-pyrrol-1-yl}-4-(dimethylamino)pyridine-3-carbonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C20H17ClFN5O |
| Molecular Weight | 397.83 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
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Recommended Standards
- 2-(3-(((4-Chlorophenyl)sulfonyl)methyl)-4-nitrophenyl)-2-methyl-1,3-dioxolane (CAS 339276-53-8)
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- 2-(4-(3-Chlorophenyl)piperazin-1-yl)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 303091-54-5)
- N-(2-(1H-indol-3-yl)ethyl)-3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide (CAS 920700-26-1)
- 2-O-ethyl 1-O-methyl benzene-1,2-dicarboxylate 34006-77-4 (CAS 34006-77-4)
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- 5-Amino-2-(3,6-bis(dimethylamino)xanthylium-9-yl)benzoate (CAS 80724-17-0)
- 1,2-Difluoro-3-isopropoxybenzene (CAS 1174005-86-7)
- 2-(4-Methoxyphenyl)benzo[d]oxazol-5-amine (CAS 54995-53-8)
- 4-(4-(Dimethoxymethyl)pyrimidin-2-yl)phenyl 4-fluorobenzoate (CAS 477870-26-1)
- 3-Fluoro-4-isopropoxyaniline (CAS 97566-69-3)
- 3-(3-Bromophenyl)-1H-pyrazol-4-amine (CAS 1171492-86-6)
- n-(5-Chloropyridin-2-yl)piperidine-4-carboxamide (CAS 1152558-73-0)
- C-Peptide 1 (rat) (CAS 41475-27-8)
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