(1R,3R)-1-[2,6-Difluoro-4-[[1-(3-fluoropropyl)-3-azetidinyl]amino]phenyl]-β,β-difluoro-1,3,4,9-tetrahydro-3-methyl-2H-pyrido[3,4-b]indole-2-propanol
[CAS# 1953133-47-5]

Identification

• Classification: Organic raw materials >> Heterocyclic compound >> Indoles
• Name: (1R,3R)-1-[2,6-Difluoro-4-[[1-(3-fluoropropyl)-3-azetidinyl]amino]phenyl]-β,β-difluoro-1,3,4,9-tetrahydro-3-methyl-2H-pyrido[3,4-b]indole-2-propanol
• Synonyms: GDC 9545; Giredestrant; RG 6171; RG-6171; RG6171
• Molecular Formula: C₂₇H₃₁F₅N₄O
• Molecular Weight: 522.55
• CAS Registry Number: 1953133-47-5
• SMILES: C(C(CO)(F)F)N1[C@@](C2=C(C=3C(N2)=CC=CC3)C[C@H]1C)(C4=C(F)C=C(NC5CN(CCCF)C5)C=C4F)[H]

Properties

• Solubility: Practically insoluble (0.011 g/L g/L) (25 °C), Calc.^*
• pKa: 13.68±0.10 (Most acidic 25 °C), Calc.^*
• Density: 1.333±0.06 g/cm³ (20 °C 760 Torr), Calc.^*
• Boiling point: 618.8±55.0 °C (760 Torr), Calc.^*
• Flash point: 328.1±31.5 °C, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P261-P280-P301+P312-P302+P352-P305+P351+P338