3-[(1E)-1-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylhydrazin-1-yl}-2-cyanoeth-1-en-1-yl]-1-(4-chlorophenyl)urea CAS 337920-11-3
| CAS No. | 337920-11-3 |
| Molecular Formula | C17H13Cl2F3N6O |
| Molecular Weight | 445.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-[(1E)-1-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylhydrazin-1-yl}-2-cyanoeth-1-en-1-yl]-1-(4-chlorophenyl)urea is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-[(1E)-1-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylhydrazin-1-yl}-2-cyanoeth-1-en-1-yl]-1-(4-chlorophenyl)urea (CAS 337920-11-3), molecular formula C17H13Cl2F3N6O and molecular weight 445.23 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-[(1E)-1-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylhydrazin-1-yl}-2-cyanoeth-1-en-1-yl]-1-(4-chlorophenyl)urea (C17H13Cl2F3N6O) 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 445.23 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 3-[(1E)-1-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylhydrazin-1-yl}-2-cyanoeth-1-en-1-yl]-1-(4-chlorophenyl)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 | C17H13Cl2F3N6O |
| Molecular Weight | 445.23 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 6 |
Related E Standards
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- 3-[1-(3-Chloro-4-fluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775516-32-9)
- 3-[1-(5-Chloro-2-fluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775525-66-0)
- 3-[1-(4-Chloro-2-methoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775536-13-4)
- 2-{[2-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-oxoethyl]sulfanyl}pyridin-1-ium-1-olate (CAS 339016-51-2)
Recommended Standards
- 2-Amino-7-bromo-4-[2-(trifluoromethyl)phenyl]-4H-benzo[g]chromene-3-carbonitrile (CAS 861208-31-3)
- D-Gluconic acid manganese salt (CAS 6485-39-8)
- 6-(Tributylstannyl)-2,2'-bipyridine (CAS 163630-09-9)
- N'-[4,6-Bis(trifluoromethyl)pyridine-2-carbonyl]-3-(trifluoromethyl)benzohydrazide (CAS 1092345-45-3)
- 7-(Bromomethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one (CAS 3751-96-0)
- 1-(Naphthalen-1-yl)-2-oxopyrrolidine-3-carboxylic acid (CAS 618070-36-3)
- 2,3,4-Tribromodibenzo[b,d]furan (CAS 617707-50-3)
- Methyl 2-bromo-4-chloro-6-methylbenzoate (CAS 2092361-21-0)
- 5-Chloro-7-methylimidazo[1,2-a]pyrimidine (CAS 112266-62-3)
- Imino(4-isopropylphenyl)(methyl)-l6-sulfanone (CAS 1085526-18-6)
- 2-(aminomethyl)-6-fluoroaniline (CAS 1314932-58-5)
- 3,7-Dimethyl-6-(methylthio)-3,7-dihydro-2H-purin-2-one (CAS 38759-27-2)
- 5-(1-Ethyl-1h-pyrazol-3-yl)-1,2-oxazole-3-carboxylic acid (CAS 1006484-70-3)
- Semaglutide impurity 266 (CAS CATO-C4X-2226266)
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