3-[5-[(2,3-Difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1,2,3,4-tetrahydro-2,4-dioxothieno[3,4-d]pyrimidine-5-carboxylic acid
[CAS# 935283-04-8]

Identification

• Name: 3-[5-[(2,3-Difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1,2,3,4-tetrahydro-2,4-dioxothieno[3,4-d]pyrimidine-5-carboxylic acid
• Synonyms: KLH 2109; Linzagolix; OBE 2109
• Molecular Formula: C₂₂H₁₅F₃N₂O₇S
• Molecular Weight: 508.42
• CAS Registry Number: 935283-04-8
• SMILES: O=C(O)C=1SC=C2NC(=O)N(C(=O)C12)C=3C=C(OCC4=C(F)C(F)=CC=C4OC)C(OC)=CC3F

Properties

• Solubility: Practically insoluble (0.014 g/L g/L) (25 °C), Calc.^*
• pKa: 3.26±0.20 (Most acidic 25 °C), Calc.^*
• Density: 1.550±0.06 g/cm³ (20 °C 760 Torr), Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)