2-[3-[2-Chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl]methoxy]phenyl]-3-hydroxy-1-azetidinyl]-4-pyridinecarboxylic acid
[CAS# 1418274-28-8]

Identification

• Name: 2-[3-[2-Chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl]methoxy]phenyl]-3-hydroxy-1-azetidinyl]-4-pyridinecarboxylic acid
• Synonyms: Cilofexor; GS 9674; PX 104
• Molecular Formula: C₂₈H₂₂Cl₃N₃O₅
• Molecular Weight: 586.85
• CAS Registry Number: 1418274-28-8
• EC Number: 890-395-3
• SMILES: O=C(O)C=1C=CN=C(C1)N2CC(O)(C3=CC=C(OCC=4C(=NOC4C5CC5)C=6C(Cl)=CC=CC6Cl)C=C3Cl)C2

Properties

• Solubility: Insoluble (1.0E^-4 g/L g/L) (25 °C), Calc.^*
• pKa: 2.10±0.10 (Most acidic 25 °C), Calc.^*
• Density: 1.538±0.06 g/cm³ (20 °C 760 Torr), Calc.^*
• Boiling point: 855.5±65.0 °C (760 Torr), Calc.^*
• Flash point: 471.2±34.3 °C, Calc.^*

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

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin corrosion	Skin Corr.	1B	H314
Acute toxicity	Acute Tox.	4	H302
Chronic hazardous to the aquatic environment	Aquatic Chronic	2	H411
Acute toxicity	Acute Tox.	3	H311
Acute hazardous to the aquatic environment	Aquatic Acute	1	H400
Serious eye damage	Eye Dam.	1	H318