5-Amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-carboxamide CAS 728003-22-3
| CAS No. | 728003-22-3 |
| Molecular Formula | C20H17F3N4O2S |
| Molecular Weight | 434.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 434.43 g/mol gives 5-Amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-carboxamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-Amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-carboxamide (CAS 728003-22-3) is a high-purity analytical reference standard with the molecular formula C20H17F3N4O2S and a molecular weight of 434.43 g/mol.
Structurally, 5-Amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-carboxamide (C20H17F3N4O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 434.43 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.
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.
Physical & Chemical Properties
| Molecular Formula | C20H17F3N4O2S |
| Molecular Weight | 434.43 g/mol |
| 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.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Amino Standards
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Recommended Standards
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- 6-Bromo-2-(3,5-dichlorophenyl)benzo[d]thiazole (CAS 1242299-78-0)
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- 5(6)-FAM-(Glu1)-Orexin A (human, mouse, rat) trifluoroacetate salt (CAS 1678416-64-2)
- 2-Amino-6-bromopyrido[2,3-d]pyrimidine (CAS 882670-89-5)
- Gly-Neuroendocrine Regulatory Peptide-3 (human, mouse, rat) trifluoroacetate salt (CAS 1815618-19-9)
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