Doxofylline supplier Doxofylline China Doxofylline 98%
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1. Introduction of Doxofylline
The Doxofylline, with its CAS NO 69975-86-6, is a kind of White crystalline powder. It has synonyms of Theophylline,7-(1,3-dioxolan-2-ylmethyl)- (7CI);2-(7'-Theophyllinemethyl)-1,3-dioxolane;ABC 12/3;ABC 1213;Ansimar;Dioxyfilline;Doxophylline;Maxivent;Ventax;1H-purine-2,6-dione, 7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-.
2. Properties of Doxofylline
ACD/LogP: -0.873 ACD/LogD (pH 5.5): -0.87 ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 5.5): 1.00 ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 5.5): 7.98 ACD/KOC (pH 7.4): 7.98
#H bond acceptors: 8 #Freely Rotating Bonds: 2 Polar Surface Area: 76.9 2
Index of Refraction: 1.7 Molar Refractivity: 64.624 cm3
Molar Volume: 167.116 cm3 Polarizability: 25.619 10-24cm3
Surface Tension: 63.3320007324219 dyne/cm Density: 1.593 g/cm3
Flash Point: 259.322 °C Enthalpy of Vaporization: 77.479 kJ/mol
Boiling Point: 505.177 °C at 760 mmHg
3. Structure descriptors of Doxofylline
SMILES:O=C2c1n(cnc1N(C(=O)N2C)C)CC3OCCO3
Std. InChI:InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
Std. InChIKey:HWXIGFIVGWUZAO-UHFFFAOYSA-N
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