7-Ethyl-2,3,5,6,7,8-hexahydro-3-(3-methoxyphenyl)-2-thioxopyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(1H)-one CAS 847744-39-2
| CAS No. | 847744-39-2 |
| Molecular Formula | C18H19N3O2S2 |
| Molecular Weight | 373.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
7-Ethyl-2,3,5,6,7,8-hexahydro-3-(3-methoxyphenyl)-2-thioxopyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 847744-39-2) is a high-purity analytical reference standard with the molecular formula C18H19N3O2S2 and a molecular weight of 373.49 g/mol.
Structurally, 7-Ethyl-2,3,5,6,7,8-hexahydro-3-(3-methoxyphenyl)-2-thioxopyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(1H)-one (C18H19N3O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 373.49 g/mol, it falls into the moderately-high-molecular-weight range. 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 7-Ethyl-2,3,5,6,7,8-hexahydro-3-(3-methoxyphenyl)-2-thioxopyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(1H)-one 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 | C18H19N3O2S2 |
| Molecular Weight | 373.49 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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