1-(3-Chlorobenzyl)-3-methyl-6-phenyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS 1011398-52-9
| CAS No. | 1011398-52-9 |
| Molecular Formula | C21H16ClN3O2 |
| Molecular Weight | 377.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
1-(3-Chlorobenzyl)-3-methyl-6-phenyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1011398-52-9), molecular formula C21H16ClN3O2 and molecular weight 377.82 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(3-Chlorobenzyl)-3-methyl-6-phenyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid (C21H16ClN3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 377.82 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.
Physical & Chemical Properties
| Molecular Formula | C21H16ClN3O2 |
| Molecular Weight | 377.82 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chlorobenzyl Standards
- 1-(2-Chlorobenzyl)-3-methyl-6-phenyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1011399-97-5)
- 1-(4-chlorobenzyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1011400-09-1)
- 2-Chlorobenzyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)propanoate (CAS 339010-48-9)
- 3-Chlorobenzyl 1-(3-chlorobenzyl)piperidine-2-carboxylate (CAS 1261229-53-1)
- 2-Chlorobenzyl 1-(2-chlorobenzyl)piperidine-4-carboxylate (CAS 1261230-59-4)
- 3-Chlorobenzyl 1-(3-chlorobenzyl)piperidine-3-carboxylate (CAS 1353980-13-8)
- 1-Benzyl-4-((4-chlorobenzyl)thio)phthalazine (CAS 338417-98-4)
- 2-((2-Chlorobenzyl)thio)-4,5-diphenyl-1H-imidazole (CAS 339277-36-0)
Recommended Standards
- 2-((1-Cyano-1-cyclopropylethyl)amino)-2-oxoethyl (2-chlorobenzoyl)alaninate (CAS 1008707-52-5)
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- N-(5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-4-(methylsulfonyl)benzamide (CAS 896350-53-1)
- (2S)-N-(3-chloro-4-fluorophenyl)-2-[[[(tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]amino]-Propanamide (CAS 1212437-54-1)
- Tetradecyl isobutyrate (CAS 167871-30-9)
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- N-(3-Amino-5-(trifluoromethyl)phenyl)methanesulfonamide (CAS 873056-09-8)
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- Crisaborole impurity 150 (CAS CATO-C4X-2021150)
- Tert-butyl 3-((ethylamino)methyl)pyrrolidine-1-carboxylate (CAS 887591-54-0)
- 2-(Difluoromethyl)-6-methoxybenzo[d]oxazole (CAS 1804083-19-9)
- Des-Lys20(Side Chain)-Semaglutide (CAS CATO-C4X-2226280)
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