CAS 743452-17-7

2-[[(1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]propanoic acid

Description:

2-[[(1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]propanoic acid, with the CAS number 743452-17-7, is a chemical compound characterized by its complex structure, which includes a benzothieno-pyrimidine core. This compound features a thioether linkage and a propanoic acid functional group, contributing to its potential biological activity. The presence of the hexahydro and oxo groups indicates that it may exhibit specific stereochemical properties and reactivity patterns. Typically, compounds of this nature may be investigated for their pharmacological properties, potentially acting as intermediates in drug development or as active pharmaceutical ingredients. The molecular structure suggests that it may engage in various interactions, such as hydrogen bonding and hydrophobic interactions, which are crucial for biological activity. As with many specialized compounds, its solubility, stability, and reactivity would depend on the specific conditions under which it is studied, including pH, temperature, and the presence of other chemical species.

Formula: C₁₄H₁₆N₂O₃S₂

InChI: InChI=1S/C14H16N2O3S2/c1-7(14(18)19)20-6-10-15-12(17)11-8-4-2-3-5-9(8)21-13(11)16-10/h7H,2-6H2,1H3,(H,18,19)(H,15,16,17)

InChI key: InChIKey=MIHKCDODXVZNNR-UHFFFAOYSA-N

SMILES: O=C1C=2C3=C(SC2NC(CSC(C(O)=O)C)=N1)CCCC3

Synonyms:

• 2-[[(1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]propanoic acid
• Propanoic acid, 2-[[(1,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]-

2-[({3-Oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl]propanoic acid

CAS: 743452-17-7

Versatile small molecule scaffold

Formula: C₁₄H₁₆N₂O₃S₂

Purity: Min. 95%

Molecular weight: 324.4 g/mol

Ref: 3D-TEB45217