Ethyl 4-{5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-amido}benzoate CAS 728003-27-8
| CAS No. | 728003-27-8 |
| Molecular Formula | C22H22N4O3S |
| Molecular Weight | 422.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 4-{5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-amido}benzoate 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.
Ethyl 4-{5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-amido}benzoate (CAS 728003-27-8) is a high-purity analytical reference standard with the molecular formula C22H22N4O3S and a molecular weight of 422.50 g/mol.
Based on its molecular formula C22H22N4O3S, Ethyl 4-{5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-amido}benzoate contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 422.50 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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), Ethyl 4-{5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-amido}benzoate 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 | C22H22N4O3S |
| Molecular Weight | 422.50 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 | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- (2E)-1-(3-Chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one (CAS 1013570-11-0)
- 3-((4-Nitrobenzyl)oxy)benzaldehyde (CAS 247089-42-5)
- 2-(2-Bromophenyl)-4-phenyl-4,5-dihydrooxazole (CAS 153233-81-9)
- 2-(Cyclooctylamino)propane-1,3-diol (CAS 1483899-06-4)
- CAS 2260670-34-4 (CAS 2260670-34-4)
- (S)-2-Amino-3-(3-ethoxy-5-methylisoxazol-4-yl)propanoic acid (CAS 784110-88-9)
- Methyl 2-(5-Methyl-3-indolyl)-2-oxoacetate (CAS 408356-28-5)
- 6-Hydroxy-5-methyl-2-(2-(methylamino)ethyl)pyrimidin-4(3H)-one dihydrochloride (CAS 2137765-30-9)
- (E)-N'-benzylidene-5-methylisoxazole-3-carbohydrazide (CAS 91397-11-4)
- Acetyl Dipeptide-1 (CAS 196604-48-5)
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