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CAS No.: | 191744-13-5 |
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Name: | CX614 |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H13NO4 |
Molecular Weight: | 247.25 |
Synonyms: | 2,3,6a,7,8,9-Hexahydro-11H-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-on;2H,3H,6aH-pyrrolidino(2,1-3,2)1,3-oxazino(6,5-5,4)benzo(e)1,4-dioxan-10-one; |
Density: | 1.45 g/cm3 |
Melting Point: | 149-151°C |
Boiling Point: | 473.8 °C at 760 mmHg |
Flash Point: | 240.3 °C |
PSA: | 48.00000 |
LogP: | 1.35020 |
The CX 614, with the CAS registry number 191744-13-5, is also known as 2, 3, 6a, 7, 8, 9-Hexahydro-11H-[1, 4]dioxino[2, 3-g]pyrrolo[2, 1-b][1, 3]benzoxazin-11-on. This chemical's molecular formula is C13H13NO4 and molecular weight is 247.25. What's more, its systematic name is 2, 3, 6a, 7, 8, 9-Hexahydro-11H-[1, 4]dioxino[2, 3-g]pyrrolo[2, 1-b][1, 3]benzoxazin-11-one. In addition, CX 614 is an ampakine drug developed by Cortex Pharmaceuticals. And it has been investigated for its effect on AMPA receptors. Besides, this chemical can be used as an important new treatment for Parkinson's Disease and Alzheimer's Disease. And it has also been shown to reduce the behavioural effects of methamphetamine in mice, and may have application in the treatment of stimulant abuse.
Physical properties about CX 614 are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.1; (6)ACD/BCF (pH 7.4): 8.1; (7)ACD/KOC (pH 5.5): 155.52; (8)ACD/KOC (pH 7.4): 155.52; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 62.21 cm3; (15)Molar Volume: 170.2 cm3; (16)Polarizability: 24.66×10-24 cm3; (17)Surface Tension: 63.6 dyne/cm; (18)Density: 1.45 g/cm3; (19)Flash Point: 240.3 °C; (20)Enthalpy of Vaporization: 73.7 kJ/mol; (21)Boiling Point: 473.8 °C at 760 mmHg; (22)Vapour Pressure: 3.82E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c3c(OC2N1CCC2)cc4OCCOc4c3
(2) InChI: InChI=1/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2
(3) InChIKey: RQEPVMAYUINZRE-UHFFFAOYAR