2-Oxazolidinone,5-(methoxymethyl)-3-[4-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-, (5R)- supplier

Name
Befloxatone
EINECS
CAS No. 134564-82-2
Article Data2
CAS DataBase
Density 1.326 g/cm³
Solubility
Melting Point 101°
Formula C₁₅H₁₈F₃NO₅
Boiling Point 447.3 °C at 760 mmHg
Molecular Weight 349.307
Flash Point 224.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Befloxatone;
PSA 68.23000
LogP 2.41530

2-Oxazolidinone,5-(methoxymethyl)-3-[4-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-, (5R)- Specification

The 2-Oxazolidinone,5-(methoxymethyl)-3-[4-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-, (5R)-, with the CAS registry number of 134564-82-2, is also known as Befloxatone. Its molecular formula is C₁₅H₁₈F₃NO₅ and molecular weight is 349.303. What's more, its IUPAC name is (5R)-5-(Methoxymethyl)-3-[4-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one. It can selectively inhibit monoamine oxidase A.

Physical properties about the 2-Oxazolidinone,5-(methoxymethyl)-3-[4-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-, (5R)- are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 69.75; (6)ACD/BCF (pH 7.4): 69.75; (7)ACD/KOC (pH 5.5): 726.45; (8)ACD/KOC (pH 7.4): 726.44; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 57.23 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 77.18 cm³; (15)Molar Volume: 263.2 cm³; (16)Surface Tension: 40 dyne/cm; (17)Density: 1.326 g/cm³; (18)Flash Point: 224.3 °C; (19)Enthalpy of Vaporization: 74.36 kJ/mol; (20)Boiling Point: 447.3 °C at 760 mmHg; (21)Vapour Pressure: 8.73E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2O[C@H](CN2c1ccc(OCC[C@@H](O)C(F)(F)F)cc1)COC
(2) InChI: InChI=1/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1
(3) InChIKey: IALVDLPLCLFBCF-CHWSQXEVBB

Product Name

Befloxatone

2-Oxazolidinone,5-(methoxymethyl)-3-[4-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-, (5R)- Specification

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