1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one CAS 40106-31-8

Purity 97%+In StockPharmaceutical Standards
CAS No.40106-31-8
Molecular FormulaC11H12N2OS
Molecular Weight220.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one CAS 40106-31-8 chemical structure

Description

The occurrence of 1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 40106-31-8) is a high-purity analytical reference standard with the molecular formula C11H12N2OS and a molecular weight of 220.29 g/mol.

Structurally, 1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (C11H12N2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 220.29 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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.

CATO manufactures 1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-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 FormulaC11H12N2OS
Molecular Weight220.29 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1968
Nitrogen Atoms2
Sulfur Atoms1

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