CAS No.808118-40-3,FG-4592 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	808118-40-3
Name:	FG-4592
Article Data:	29

Formula:	C₁₉H₁₆N₂O₅
Molecular Weight:	352.346
Synonyms:	N-[(4-Hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]glycine;[[(4-Hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]amino]acetic acid;
EINECS:	813-400-2
Density:	1.389 g/cm³
Boiling Point:	684.3 °C at 760 mmHg
Flash Point:	367.6 °C
PSA:	108.75000
LogP:	3.24640

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Specification

The Glycine, N-[(4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]-, with the CAS registry number 808118-40-3, is also known as [[(4-Hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]amino]acetic acid. This chemical's molecular formula is C₁₉H₁₆N₂O₅ and molecular weight is 352.34. What's more, its systematic name is N-[(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]glycine.

Physical properties of Glycine, N-[(4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]- are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): -1.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 77.96 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 95.15 cm³; (15)Molar Volume: 253.5 cm³; (16)Polarizability: 37.72×10^-24cm³; (17)Surface Tension: 66.3 dyne/cm; (18)Density: 1.389 g/cm³; (19)Flash Point: 367.6 °C; (20)Enthalpy of Vaporization: 105.41 kJ/mol; (21)Boiling Point: 684.3 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CNC(=O)c1nc(c3c(c1O)ccc(Oc2ccccc2)c3)C
(2)Std. InChI: InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)
(3)Std. InChIKey: YOZBGTLTNGAVFU-UHFFFAOYSA-N