6-[3-(2,5-Dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-18,19-dimethoxy-4,5,9,13-tetraazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one CAS 685107-20-4
| CAS No. | 685107-20-4 |
| Molecular Formula | C29H27N5O3S |
| Molecular Weight | 525.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-[3-(2,5-Dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-18,19-dimethoxy-4,5,9,13-tetraazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 6-[3-(2,5-Dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-18,19-dimethoxy-4,5,9,13-tetraazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one (CAS 685107-20-4), a certified reference material (molecular formula C29H27N5O3S, MW 525.62 g/mol) for analytical method development and quality control.
Based on its molecular formula C29H27N5O3S, 6-[3-(2,5-Dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-18,19-dimethoxy-4,5,9,13-tetraazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 525.62 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C29H27N5O3S |
| Molecular Weight | 525.62 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 |
| Degree of Unsaturation (DBE) | 19.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Ethyl 2-(ethylamino)-3-(5-methyl-1h-pyrazol-1-yl)propanoate (CAS 1339690-07-1)
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