Methyl 3-{2-[(hexylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate CAS 477872-73-4
| CAS No. | 477872-73-4 |
| Molecular Formula | C22H24N2O4S |
| Molecular Weight | 412.50 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 Methyl 3-{2-[(hexylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate.
Methyl 3-{2-[(hexylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate (CAS 477872-73-4), molecular formula C22H24N2O4S and molecular weight 412.50 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 3-{2-[(hexylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate (C22H24N2O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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 412.50 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.
CATO manufactures Methyl 3-{2-[(hexylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate 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 | C22H24N2O4S |
| Molecular Weight | 412.50 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Methyl Standards
Recommended Standards
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- 3-((4-Fluorophenyl)thio)-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene 1-oxide (CAS 477762-72-4)
- 912824-07-8 8-(Dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)quinolin-4(1H)-one DTXSID20580298 (CAS 912824-07-8)
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- 4,5-Dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CAS 1082040-67-2)
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- 1-(Boc-amino)-4-methylcyclohexanecarboxylic Acid (CAS 199330-69-3)
- 8-Bromo-7-chloro-2-methoxy-1,5-naphthyridine (CAS 915976-85-1)
- N'-(3-(1H-pyrrol-1-yl)thiophene-2-carbonyl)-4-chlorobenzenesulfonohydrazide (CAS 672925-20-1)
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