Methyl 2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate CAS 312625-68-6
| CAS No. | 312625-68-6 |
| Molecular Formula | C20H20N2O3S2 |
| Molecular Weight | 400.51 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate (CAS 312625-68-6), molecular formula C20H20N2O3S2 and molecular weight 400.51 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate (C20H20N2O3S2) 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.
CATO manufactures Methyl 2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate 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 | C20H20N2O3S2 |
| Molecular Weight | 400.51 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 | 2 |
Related Methyl Standards
- 2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetohydrazide (CAS 864060-48-0)
- 4,6-Bis[(4-methylphenyl)sulfanyl]-2-phenylpyrimidine (CAS 343373-71-7)
- 4-(4-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl}piperidine-1-carbonyl)benzonitrile (CAS 1775548-72-5)
- N-(2-Methylphenyl)-2-{4-[4-(thiophen-2-yl)pyrimidin-2-yl]phenoxy}acetamide (CAS 477888-35-0)
- N-((4-Methylphenyl)sulfonyl)(4-(3-phenylprop-2-enyl)piperazinyl)formamide (CAS 1025561-75-4)
- 5-Methyl-6-({[(4-methylphenyl)amino]carbonyl}-amino)-3-phenyl-1H-indole-2-carboxylic acid (CAS 1170091-38-9)
- 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide (CAS 1024449-08-8)
- 1023528-62-2 1,3-Bis(4-methylphenyl)-5-(2-thienylmethylene)-1,3-diazaperhydroine-2,4,6-trione MFCD04154237 (CAS 1023528-62-2)
Recommended Standards
- Marinobufagin (CAS 470-42-8)
- S-(2-((4-Methoxyphenyl)amino)-2-oxoethyl) carbamothioate (CAS 5429-06-1)
- Lucidone B (CAS 97653-93-5)
- tert-Butyl 6-(1-(tert-butoxycarbonyl)piperidin-4-yl)-1H-indole-1-carboxylate (CAS 2007921-10-8)
- 1-Cyanocycloheptyl acetate (CAS 71172-45-7)
- 1,3-Diacetylpyrrolidine-2,4-dione (CAS 307925-22-0)
- (R)-Methyl 2-((tert-butoxycarbonyl)amino)-5-iodopentanoate (CAS 2722929-14-6)
- Esomeprazole Impurity 128 (CAS CATO-C4X-1112128)
- 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine hydrochloride (CAS 1239785-99-9)
- N-[3-(Dimethylamino)propyl]-8-methyl-8H-thieno[2,3-b]indole-2-carboxamide (CAS 860611-35-4)
- 2-Bromo-2-(o-tolyl)acetonitrile (CAS 1052175-57-1)
- 5-Fluoroquinoline-8-sulfonic acid (CAS 10092-63-4)
- trans-methyl 4-(4-fluorophenyl)pyrrolidine-3-carboxylate hydrochloride (CAS 1236862-40-0)
- Semaglutide Impurity 142 (CAS CATO-C4X-2226142)
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