4-(2-methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one CAS 136386-73-7
| CAS No. | 136386-73-7 |
| Molecular Formula | C17H28N2O2S2 |
| Molecular Weight | 356.55 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-(2-methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one (C17H28N2O2S2) 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 its high hydrophobicity (logP), 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.
4-(2-methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one (CAS 136386-73-7) is a high-purity analytical reference standard with the molecular formula C17H28N2O2S2 and a molecular weight of 356.55 g/mol.
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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C17H28N2O2S2 |
| Molecular Weight | 356.55 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related methoxyphenyl Standards
- 4-(4-methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one (CAS 65234-02-8)
- 3-(((3-Methoxyphenyl)thio)methyl)-2,3-dihydro-5H-thiazolo[2,3-b]quinazolin-5-one (CAS 477860-25-6)
- N-(4-(4-Methoxyphenyl)thiazol-2-yl)-2-(methylthio)benzamide (CAS 896345-01-0)
- Ethyl 4-(3-methoxyphenyl)-2-oxo-6-(thiophen-3-yl)cyclohex-3-ene-1-carboxylate (CAS 551921-89-2)
- 1-(2-Methoxyphenyl)-3-(2-((5-(pyrrolidin-1-yl)pyridazin-3-yl)amino)ethyl)urea (CAS 1797662-10-2)
- 2-((4-Methoxyphenyl)carbamoyl)thiophen-3-yl dimethylsulfamate (CAS 338794-69-7)
- 3-(4-Methoxyphenyl)-6-(pyrrolidin-1-yl)pyridazino[4,3-c]isoquinoline (CAS 96825-90-0)
- Ethyl 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate (CAS 903446-68-4)
Recommended Standards
- 2-(3,4,5-Trichlorophenyl)-5-(trifluoromethyl)pyridine-3-methanol (CAS 1361600-20-5)
- [3-Chloro-5-(trifluoromethyl)pyridin-2-yl](2,4-dichlorophenyl)methanol (CAS 303151-76-0)
- (4-Chloro-phenyl)-(2,6-dichloro-4-trifluoromethyl-pyridin-3-yl)-methanol (CAS 1311279-55-6)
- 11-(4-ethoxyphenyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]dodeca-1(8),2(6),9-trien-12-one (CAS 519152-06-8)
- (R)-Methyl 4-((tert-butoxycarbonyl)amino)-5-hydroxypentanoate (CAS 146398-08-5)
- N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-(trifluoromethyl)benzamide (CAS 330189-71-4)
- 7-Bromo-2-methyl-2H-indazol-3-amine (CAS 701910-33-0)
- Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate (CAS 339015-47-3)
- 2-(1,2,3,4-Tetrahydroisoquinolin-1-yl)aniline (CAS 19007-80-8)
- 3-Chloro-n-(propan-2-yl)propanamide (CAS 22813-48-5)
- 4-(Ethylsulfonyl)-1,2-difluorobenzene (CAS 845617-59-6)
- 3-(Chloromethyl)cyclopent-2-enone (CAS 110874-87-8)
- 1-Benzylpiperidine-2-carboxylic Acid (CAS 21319-53-9)
- 30003-72-6 insulin chain b oxidized (CAS 30003-72-6)
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