N-(3-Fluorophenyl)-N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)urea CAS 478047-12-0
| CAS No. | 478047-12-0 |
| Molecular Formula | C16H16FN5O |
| Molecular Weight | 313.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(3-Fluorophenyl)-N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)urea is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-(3-Fluorophenyl)-N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)urea (CAS 478047-12-0), molecular formula C16H16FN5O and molecular weight 313.33 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(3-Fluorophenyl)-N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)urea (C16H16FN5O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 313.33 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), N-(3-Fluorophenyl)-N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)urea 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 | C16H16FN5O |
| Molecular Weight | 313.33 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Related N Standards
- Ethyl 2-(4-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetate (CAS 1011397-31-1)
- 1-(4-fluorophenyl)-3-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1011397-86-6)
- 1-(2-Fluorophenyl)-3-methyl-6-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1018127-56-4)
- 1-(4-Fluorophenyl)-3-methyl-6-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1018164-74-3)
- 3-(4-Fluorophenyl)-N-(2-(furan-3-yl)ethyl)-1-methyl-1H-pyrazole-5-carboxamide (CAS 1428355-57-0)
- 1-(4-Fluorophenyl)-4-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperazine (CAS 478062-74-7)
- 4-(2-Fluorophenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860784-84-5)
- 4-(2-Fluorophenyl)-3-methyl-1-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860786-75-0)
Recommended Standards
- N-(2-fluorobenzyl)-6,7-dimethoxyquinazolin-4-amine (CAS 477855-27-9)
- N-(4-fluorobenzyl)-6,7-dimethoxyquinazolin-4(3H)-imine (CAS 477855-25-7)
- N'-([1,3]Dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)benzohydrazide (CAS 851988-52-8)
- N-(Thieno[2,3-d]pyrimidin-4-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide (CAS 899963-51-0)
- Methyl 2-amino-4-(4-propylphenyl)thiophene-3-carboxylate (CAS 350990-11-3)
- (Z)-3-(((2-(2,5-Dioxopyrrolidin-1-yl)ethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dioleate (CAS 97782-02-0)
- 4-(Methoxymethyl)benzaldehyde (CAS 93943-06-7)
- 2-O-tert-Butyl 3-O-ethyl (3S,5R)-5-hydroxy-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate (CAS 1272756-98-5)
- 1-(4-(2,2-Difluoroethoxy)phenyl)propan-1-one (CAS 1178045-63-0)
- N-(4-Fluorophenyl)(methylsulfanyl)carbothioamide (CAS 33692-68-1)
- 2-Chloro-N-(2-(pyridin-3-yl)pyrimidin-4-yl)benzamide (CAS 478046-51-4)
- 2-(3-(1H-pyrrol-1-yl)thiophene-2-carbonyl)-N-(2,6-dimethylphenyl)hydrazine-1-carboxamide (CAS 478062-89-4)
- Sodium [5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanide (CAS 2034155-60-5)
- (Cys2)-Neuropeptide Y-8-aminooctanoyl-(D-Cys27)-Neuropeptide Y (25-32) (H-3298.0500) (CAS 128806-04-2)
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