(2S,5R,6S)-Benzhydryl 6-benzamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide CAS 69780-18-3
| CAS No. | 69780-18-3 |
| Molecular Formula | C28H26N2O5S |
| Molecular Weight | 502.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, (2S,5R,6S)-Benzhydryl 6-benzamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 502.58 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
(2S,5R,6S)-Benzhydryl 6-benzamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide (CAS 69780-18-3) is a high-purity analytical reference standard with the molecular formula C28H26N2O5S and a molecular weight of 502.58 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C28H26N2O5S |
| Molecular Weight | 502.58 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Recommended Standards
- (2R,3R,4S,5R,6S)-2-(acetoxymethyl)-4-(benzyloxy)-6-(p-tolylthio)tetrahydro-2H-pyran-3,5-diyl diacetate (CAS 959153-39-0)
- 2-(4-(1,3-Dioxoisoindolin-2-yl)butanamido)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 611175-65-6)
- (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-5-(benzyloxy)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4-diyl diacetate (CAS 189744-09-0)
- Ceftibuten Impurity 23 (CAS 51762-51-7)
- 2-[(1E)-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylhydrazin-1-ylidene}methyl]-N,N'-bis(2-chlorophenyl)propanediamide (CAS 306978-29-0)
- N-(3,4-dimethylbenzyl)cyclopropanamine hydrochloride (CAS 1257535-33-3)
- 4-Ethoxy-6-methylpyrimidine-2-carboxamide (CAS 98594-51-5)
- 2-(Ethoxymethyl)-6-hydroxy-3,4-dihydropyrimidin-4-one (CAS 3122-76-7)
- 2-(4-(Allyloxy)phenyl)acetonitrile (CAS 515163-31-2)
- 1-Ethyl-4-(trifluoromethyl)-1H-imidazole (CAS 81769-72-4)
- Methyl 4-(3-piperidinylmethoxy)benzoatehydrochloride (CAS 1219972-65-2)
- 3-(Cyclohexylthio)azetidine hydrochloride (CAS 1864062-94-1)
- 6-Chloro-3-iodoquinolin-4(1H)-one (CAS 1330754-24-9)
- Des-Pro36-37-Tirzepatide (CAS CATO-CPTD788938)
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