3-[5-[(2,3-二氟-6-甲氧基苯基)甲氧基]-2-氟-4-甲氧基苯基]-1,2,3,4-四氢-2,4-二氧代噻吩并[3,4-d]嘧啶-5-羧酸
[CAS# 935283-04-8]

基本信息

• 英文名: 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
• 别名: KLH 2109; Linzagolix; OBE 2109
• 产品名称: 3-[5-[(2,3-二氟-6-甲氧基苯基)甲氧基]-2-氟-4-甲氧基苯基]-1,2,3,4-四氢-2,4-二氧代噻吩并[3,4-d]嘧啶-5-羧酸
• 分子式: C₂₂H₁₅F₃N₂O₇S
• 分子量: 508.42
• CAS 登录号: 935283-04-8
• 分子行输入简码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

物理化学性质

• 溶解度: 几乎不溶 (0.014 g/L g/L) (25 ºC), 计算值^*
• pka: 3.26±0.20 (most acidic 25 ºC), 计算值^*
• 密度: 1.550±0.06 g/cm³ (20 ºC 760 torr), 计算值^*

^* 使用计算软件 Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2022 ACD/Labs)