(5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-iodophenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione CAS 339101-09-6
| CAS No. | 339101-09-6 |
| Molecular Formula | C19H14ClF3IN5O3 |
| Molecular Weight | 579.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-iodophenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione.
(5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-iodophenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione (CAS 339101-09-6), molecular formula C19H14ClF3IN5O3 and molecular weight 579.70 g/mol, is a CATO reference standard with documented purity and traceability.
(5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-iodophenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione (C19H14ClF3IN5O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine/iodine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
CATO manufactures (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-iodophenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C19H14ClF3IN5O3 |
| Molecular Weight | 579.70 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl/I-containing |
| Nitrogen Atoms | 5 |
Related E Standards
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- 4-Chloro-3-(5-methyl-3-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-amino)benzo[e][1,2,4]triazin-7-yl)phenyl benzoate (CAS 867331-82-6)
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Recommended Standards
- (+)-Biotin-PEG6-acid (CAS 1352814-10-8)
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- Boc-NH-PEG7-Tos (CAS 1292268-14-4)
- 5''-Bromo-3,3''-dioctyl-[2,2':5',2''-terthiophene]-5-carbaldehyde, 98% (CAS 1342311-48-1)
- 3-Amino-1-(difluoromethyl)pyridin-2(1H)-one (CAS 1263181-53-8)
- 5-Benzoyl-1,2,3,4-tetrahydropyridine (CAS 42374-33-4)
- 2-Phenyl-6-(pyridin-2-yl)pyrimidine-4-carbaldehyde (CAS 922726-32-7)
- 1-(2-Methylcyclopent-1-en-1-yl)-2,5-dihydro-1H-pyrrole (CAS 752205-98-4)
- 4-(2,6-Difluorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-5-pyrimidinecarboxylic acid ethyl ester (CAS 406468-02-8)
- [(4-fluorophenyl)amino]thiourea (CAS 280133-47-3)
- 4-Chloro-2-phenylpyridine (CAS 57311-18-9)
- 2-(3-Pentyl-3H-diazirin-3-yl)ethanol (CAS 245440-54-4)
- (S)-3-(Furan-2-yl)piperazin-2-one (CAS 1240590-59-3)
- (Cys2)-Neuropeptide Y-8-aminooctanoyl-(D-Cys27)-Neuropeptide Y (25-32) (H-3298.0500) (CAS 128806-04-2)
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