CAS No.2586-96-1,Liensinine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2586-96-1
Name:	Liensinine

Formula:	C₃₇H₄₂N₂O₆
Molecular Weight:	610.75
Synonyms:	Liensinine(7CI,8CI);Phenol,4-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]-2-[[1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinyl]oxy]-,[R-(R,R)]-;
EINECS:	683-151-0
Density:	1.218 g/cm³
Melting Point:	95-99ºC
Boiling Point:	722 °C at 760 mmHg
Flash Point:	390.4 °C
Appearance:	White-like powder.
PSA:	83.86000
LogP:	6.33510

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Specification

The Phenol,4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinyl]oxy]-, with CAS registry number 2586-96-1, belongs to the following product category: Alkaloids. It 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 chemical formula of this chemical is C₃₇H₄₂N₂O₆.

Physical properties of Phenol,4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinyl]oxy]-: (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)Enthalpy of Vaporization: 109.21 kJ/mol; (19)Vapour Pressure: 1.53E-21 mmHg at 25°C.

You can still convert the following datas into 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
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: XCUCMLUTCAKSOZ-FIRIVFDPSA-N