(E)-(1-{3-methyl-5-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-yl}ethylidene)amino 3-methoxybenzoate CAS 478076-95-8
| CAS No. | 478076-95-8 |
| Molecular Formula | C20H17N3O3S |
| Molecular Weight | 379.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(E)-(1-{3-methyl-5-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-yl}ethylidene)amino 3-methoxybenzoate (CAS 478076-95-8), molecular formula C20H17N3O3S and molecular weight 379.43 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (E)-(1-{3-methyl-5-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-yl}ethylidene)amino 3-methoxybenzoate (C20H17N3O3S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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)-(1-{3-methyl-5-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-yl}ethylidene)amino 3-methoxybenzoate 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 | C20H17N3O3S |
| Molecular Weight | 379.43 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- Methyl 2-(4-nitro-3-(phenylthio)phenyl)-2-phenylacetate (CAS 1848979-91-8)
- (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(thiophen-2-yl)acetic acid (CAS 208259-66-9)
- Tert-butyl 4-((3-(4-fluorophenyl)-2-oxooxazolidin-5-yl)methyl)piperazine-1-carboxylate (CAS 1781241-47-1)
- (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-(thiophen-2-yl)acetic acid (CAS 211682-13-2)
- Fmoc-β-Ala-D-Phe(4-Cl)-OH (CAS CATO-CPTD788351)
- 2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid (CAS 733795-51-2)
- Pyridine, 2-[1,1'-biphenyl]-3-yl- (CAS 458541-39-4)
- D-(+)-Fucose (CAS 3615-37-0)
- 2-Butyryl-4-ethylcyclohexan-1-one (CAS 1247523-61-0)
- 5-(2-acetamidoethyl)-2-methoxybenzene-1-sulfonyl chloride (CAS 926266-15-1)
- (2E)-1-{[1,1'-Biphenyl]-4-yl}-3-(2-chlorophenyl)prop-2-en-1-one (CAS 1539275-16-5)
- N-(4-Chlorophenyl)methacrylamide (CAS 2918-77-6)
- 1-methylindazol-6-ol (CAS 118933-92-9)
- Insulin Degludec Impurity 13 (CAS CATO-C4X-215713)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com