(E)-2-(4-(2-Cyano-3-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3-oxoprop-1-en-1-yl)phenoxy)acetic acid CAS 745808-43-9
| CAS No. | 745808-43-9 |
| Molecular Formula | C23H22N2O6S |
| Molecular Weight | 454.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 454.50 g/mol gives (E)-2-(4-(2-Cyano-3-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3-oxoprop-1-en-1-yl)phenoxy)acetic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies (E)-2-(4-(2-Cyano-3-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3-oxoprop-1-en-1-yl)phenoxy)acetic acid (CAS 745808-43-9), a certified reference material (molecular formula C23H22N2O6S, MW 454.50 g/mol) for analytical method development and quality control.
Structurally, (E)-2-(4-(2-Cyano-3-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3-oxoprop-1-en-1-yl)phenoxy)acetic acid (C23H22N2O6S) 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 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 454.50 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), (E)-2-(4-(2-Cyano-3-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3-oxoprop-1-en-1-yl)phenoxy)acetic acid 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 | C23H22N2O6S |
| Molecular Weight | 454.50 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related E Standards
- 2-((3-Cyano-4,6-dimethylpyridin-2-yl)thio)-N-(2,4-dibromophenyl)acetamide (CAS 333778-12-4)
- N-Cyano Zanamivir Amine Triacetate Methyl Ester (CAS 1228216-82-7)
- 2-((3-Cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(2,6-difluorophenyl)acetamide (CAS 496018-65-6)
- 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide (CAS 626228-75-9)
- N-(2-Cyano-3-methylbutan-2-yl)-2-((1-(2-methoxyphenyl)-5-nitro-1H-benzo[d]imidazol-2-yl)thio)acetamide (CAS 764699-54-9)
- Ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(quinolin-2-yl)-1,4-dihydropyridine-3-carboxylate (CAS 10354-39-9)
- Ethyl 4-cyano-5-{2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]acetamido}-3-methylthiophene-2-carboxylate (CAS 488793-00-6)
- Ethyl 2-(2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 445383-11-9)
Recommended Standards
- 8′-(Diphenylphosphino)[1,1′-binaphthalen]-8-ol (CAS 193699-33-1)
- (S)-3-(tert-Butyl)-4-(2,6-diphenoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole (CAS 2446042-08-4)
- (1R)-2'-(Diphenylphosphino)-1,1'-binaphthalenyl-2-ol (CAS 149917-88-4)
- 1-(2-(2-Hydroxyethoxy)ethyl)-2-imino-10-methyl-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 607383-61-9)
- Methyl-d3-amine HCl (CAS 7436-22-8)
- 5-Bromo-2-chloro-4-fluoropyridine (CAS 1211580-49-2)
- 3-Bromo-4-nitro-1H-pyrrolo[2,3-b]pyridine (CAS 869335-36-4)
- 6,8-Dimethyl-2-(2-thienyl)quinoline-4-carbonyl chloride (CAS 1160254-79-4)
- 2-[(E)-2-[(4-Chloro-3-nitrophenyl)methylidene]hydrazin-1-yl]-3-(trifluoromethyl)quinoxaline (CAS 343372-40-7)
- (2R,3S,5R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl acetate (CAS 56070-42-9)
- 1,3,5-Tris(4-iodophenyl)benzene (CAS 151417-38-8)
- 1,4-Benzenedipentanoic acid, 2,5-dihydroxy-.delta.1,.delta.1,.delta.4,.delta.4-tetramethyl-, 1,4-dihexyl ester (CAS 85238-64-8)
- Diethylene Glycol Monopentyl Ether (CAS 18912-81-7)
- Anti-Inflammatory Peptide 3 (CAS 118850-73-0)
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