N-[(4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea CAS 650615-81-9
| CAS No. | 650615-81-9 |
| Molecular Formula | C18H12ClF6N5O2 |
| Molecular Weight | 479.76 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.
CATO supplies N-[(4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea (CAS 650615-81-9), a certified reference material (molecular formula C18H12ClF6N5O2, MW 479.76 g/mol) for analytical method development and quality control.
Structurally, N-[(4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea (C18H12ClF6N5O2) 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 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 479.76 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
As a certified reference material (CRM), N-[(4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]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 | C18H12ClF6N5O2 |
| Molecular Weight | 479.76 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related N Standards
- 3-[2-Chloro-4-(4-chlorophenoxy)phenyl]-1-(4-chlorobenzenesulfonyl)-1H-pyrazole (CAS 321522-28-5)
- 4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylhydrazin-1-yl}-6-hydroxy-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-2-one (CAS 866051-56-1)
- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-[(1E)-(2,4-dichlorophenyl)methylidene]piperidine-4-carbohydrazide (CAS 338761-24-3)
- 2-((4-Chloro-N-(2,4-dichloro-5-isopropoxyphenyl)phenyl)sulfonamido)-N,N-dimethylacetamide (CAS 338967-44-5)
- Ethyl 2-{3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]pyridin-2-yl}acetate (CAS 338392-15-7)
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- 3-Chloro-2-(3-(1-(phenylsulfonyl)-1H-pyrazol-3-yl)phenoxy)-5-(trifluoromethyl)pyridine (CAS 321385-86-8)
- N-(2-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)pyridin-3-yl)-4-fluorobenzamide (CAS 478262-13-4)
Recommended Standards
- 9-((2R,4S,5R)-4-((tert-Butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)tetrahydrofuran-2-yl)-9H-purin-6-amine (CAS 51549-32-7)
- tert-butyl N-[(3R,6S)-6-{[(tert-butyldiphenylsilyl)oxy]methyl}-3,6-dihydro-2H-pyran-3-yl]carbamate (CAS 1638744-61-2)
- (E)-8-(3-(4-Chlorophenyl)acryloyl)-3-(3,4-dichlorobenzyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CAS 1334294-76-6)
- (S)-Tert-butyl 4-(4-bromobenzoyl)-3-(4-chlorophenyl)piperazine-1-carboxylate (CAS 2132392-79-9)
- 1-(Pyrimidin-2-yl)piperidine-3-carboxylic acid (CAS 890013-40-8)
- Mono(2,3-dibromopropyl) Phosphate (CAS 5324-12-9)
- 7-Bromo-4-methylindoline (CAS 1388026-20-7)
- 2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]acetic acid (CAS 1082329-24-5)
- Estropipate (CAS 7280-37-7)
- Ethyl 5-mercapto-[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate (CAS 519056-58-7)
- (3-(4-(Dimethylamino)naphthalen-1-yl)phenyl)methanol (CAS 1349708-85-5)
- 4-(Benzyloxy)-3-methyl-1H-pyrazolo[4,3-c]pyridine (CAS 1246348-84-4)
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