Methyl 3-(2-(2-(cyclohexylamino)-2-oxoacetyl)-1H-pyrrol-1-yl)benzo[b]thiophene-2-carboxylate CAS 477872-70-1
| CAS No. | 477872-70-1 |
| Molecular Formula | C22H22N2O4S |
| Molecular Weight | 410.49 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-(2-(cyclohexylamino)-2-oxoacetyl)-1H-pyrrol-1-yl)benzo[b]thiophene-2-carboxylate.
Methyl 3-(2-(2-(cyclohexylamino)-2-oxoacetyl)-1H-pyrrol-1-yl)benzo[b]thiophene-2-carboxylate (CAS 477872-70-1), molecular formula C22H22N2O4S and molecular weight 410.49 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, Methyl 3-(2-(2-(cyclohexylamino)-2-oxoacetyl)-1H-pyrrol-1-yl)benzo[b]thiophene-2-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 410.49 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
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.
As a certified reference material (CRM), Methyl 3-(2-(2-(cyclohexylamino)-2-oxoacetyl)-1H-pyrrol-1-yl)benzo[b]thiophene-2-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C22H22N2O4S |
| Molecular Weight | 410.49 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Methyl Standards
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Recommended Standards
- Ethyl 4-(2-((1,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl)thio)acetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 868233-37-8)
- N-(4-acetylphenyl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 333411-40-8)
- Diethyl 1-(4-(methylthio)phenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylate (CAS 96722-83-7)
- Quinolin-8-yl 4-methyl-3-(piperidin-1-ylsulfonyl)benzoate (CAS 312606-87-4)
- 4-Bromo-2-chloro-5-nitrobenzaldehyde (CAS 1174534-43-0)
- (2s,4r)-4-Hydroxy-1-(mesitylsulfonyl)pyrrolidine-2-carboxylic acid (CAS 1955482-84-4)
- 2-Chlorophenylhydrazine Hydrochloride (CAS 41052-75-9)
- 3-Hydroxyisovalerylcarnitine (CAS 99159-87-2)
- 2-(3-Bromopyridin-2-yl)propan-2-ol (CAS 1240594-87-9)
- 3-Fluorobenzaldehyde 2,4-Dinitrophenylhydrazone (CAS 346-61-2)
- 3,5-Dibromobenzamide (CAS 175205-85-3)
- 4,5-Dichloro-2-methylphenol (CAS 52780-67-3)
- 6-ethyl-1H-pyrazolo[4,3-b]pyridine-3-carboxylic acid (CAS 1782820-02-3)
- Palmitoyl Hexapeptide-12 (CAS 171263-26-6)
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