CAS No.5088-90-4,Liensinine diperchlorate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5088-90-4
Name:	Liensinine diperchlorate

Formula:	C37 H42 N2 O6 . 2 Cl H O4
Molecular Weight:	610.74
Synonyms:	Liensinine perchlorate;4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}phenol;
Density:	1.218 g/cm³
Boiling Point:	722 °C at 760 mmHg
Flash Point:	390.4 °C
PSA:	226.74000
LogP:	6.64770

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Specification

The Liensinine diperchlorate, with the cas registry number 15088-90-4, has the systematic name of (4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}phenol. And the molecular formula of the chemical is C₃₇H₄₂N₂O₆.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 211.01; (7)ACD/KOC (pH 5.5): 1.12; (8)ACD/KOC (pH 7.4): 768.12; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 61.86 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 175.72 cm³; (15)Molar Volume: 501.2 cm³; (16)Polarizability: 69.66×10^-24cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.218 g/cm³; (19)Flash Point: 390.4 °C; (20)Enthalpy of Vaporization: 109.21 kJ/mol; (21)Boiling Point: 722 °C at 760 mmHg; (22)Vapour Pressure: 1.53E-21 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1ccc(cc1)C[C@@H]6c5cc(Oc2c(O)ccc(c2)C[C@@H]4c3c(cc(OC)c(OC)c3)CCN4C)c(OC)cc5CCN6C
(2)InChI: InChI=1/C37H42N2O6/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
(3)InChIKey: XCUCMLUTCAKSOZ-FIRIVFDPBU