Ethyl 2-(2-cyano-3-(1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate CAS 5505-83-9
| CAS No. | 5505-83-9 |
| Molecular Formula | C27H26IN3O3S |
| Molecular Weight | 599.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 599.48 g/mol gives Ethyl 2-(2-cyano-3-(1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Ethyl 2-(2-cyano-3-(1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 5505-83-9) is a high-purity analytical reference standard with the molecular formula C27H26IN3O3S and a molecular weight of 599.48 g/mol.
Structurally, Ethyl 2-(2-cyano-3-(1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (C27H26IN3O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 599.48 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C27H26IN3O3S |
| Molecular Weight | 599.48 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
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Recommended Standards
- Ledipasvir Impurity 9 (CAS CATO-C4X-33139)
- (S)-2-((tert-butoxycarbonyl)amino)-3-(4-(3-(3-hydroxy-2,2-dimethylpropyl)-2-iodo-1H-indol-5-yl)thiazol-2-yl)propanoic acid (CAS 2764998-29-8)
- Ledipasvir Impurity 13 (CAS CATO-C4X-331313)
- N,N′-Bis[2-(chloroacetamido)ethyl]-N,N′-dimethylrhodamine (CAS 1022050-89-0)
- 2-((3-(Trifluoromethyl)benzyl)sulfonyl)ethanethioamide (CAS 175276-83-2)
- 4-Carbamimidoylpiperazine-1-carboxamide (CAS 693790-05-5)
- 1-Chloronaphthalene (CAS 90-13-1)
- Oclacitinib Impurity 15 (CAS 2585670-75-1)
- Hematein (CAS 475-25-2)
- 2-(2-formylphenoxy)-N-methylacetamide (CAS 216082-34-7)
- 3-Bromo-2,4-dichloro-8-fluoroquinoline (CAS 1447959-10-5)
- 4-Chloro-N-hydroxybenzamide (CAS 1613-88-3)
- Tolterodine EP Impurity E HCl(R-Isomer) (CAS CATO-C4X-176724)
- Acetyl Tripeptide-1 (CAS 350595-76-5)
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