CAS No.83104-85-2,Glycine,N-[2-[(acetyloxy)methoxy]-2-oxoethyl]-N-[2-[[8-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-6-methoxy-2-quinolinyl]methoxy]-4-methylphenyl]-,(acetyloxy)methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83104-85-2
Name:	Glycine,N-[2-[(acetyloxy)methoxy]-2-oxoethyl]-N-[2-[[8-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-6-methoxy-2-quinolinyl]methoxy]-4-methylphenyl]-,(acetyloxy)methyl ester

Formula:	C₃₈H₄₃N₃O₁₈
Molecular Weight:	829.7573
Synonyms:	Quin 2acetoxymethyl ester;Quin 2AM;(acetyloxy)methyl [{2-[(acetyloxy)methoxy]-2-oxoethyl}(2-{[8-(bis{2-[(acetyloxy)methoxy]-2-oxoethyl}amino)-6-methoxyquinolin-2-yl]methoxy}-4-methylphenyl)amino]acetate;
Density:	1.36 g/cm³
Boiling Point:	865.6 °C at 760 mmHg
Flash Point:	477.3 °C
Solubility:	DMSO: soluble
Appearance:	Yellow orange solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	248.23000
LogP:	1.99880

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Specification

The Quin-2 acetoxymethyl ester, with the CAS registry number 83104-85-2, has the systematic name of (acetyloxy)methyl [{2-[(acetyloxy)methoxy]-2-oxoethyl}(2-{[8-(bis{2-[(acetyloxy)methoxy]-2-oxoethyl}amino)-6-methoxyquinolin-2-yl]methoxy}-4-methylphenyl)amino]acetate, and it is also called Quin 2AM. The molecular formula of the chemical is C₃₈H₄₃N₃O₁₈.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 186.94; (6)ACD/BCF (pH 7.4): 187.11; (7)ACD/KOC (pH 5.5): 1470.88; (8)ACD/KOC (pH 7.4): 1472.21; (9)#H bond acceptors: 21; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 30; (12)Polar Surface Area: 248.23 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 201.8 cm³; (15)Molar Volume: 609.7 cm³; (16)Polarizability: 80×10^-24cm³; (17)Surface Tension: 55.8 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 477.3 °C; (20)Enthalpy of Vaporization: 125.8 kJ/mol; (21)Boiling Point: 865.6 °C at 760 mmHg; (22)Vapour Pressure: 2.25E-30 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCOC(=O)CN(c3ccc(cc3OCc1nc2c(cc(OC)cc2cc1)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)C)CC(=O)OCOC(=O)C)C
(2)InChI: InChI=1/C38H43N3O18/c1-23-7-10-31(40(14-34(46)56-19-52-24(2)42)15-35(47)57-20-53-25(3)43)33(11-23)51-18-29-9-8-28-12-30(50-6)13-32(38(28)39-29)41(16-36(48)58-21-54-26(4)44)17-37(49)59-22-55-27(5)45/h7-13H,14-22H2,1-6H3
(3)InChIKey: ANRZUBSJAOAXHS-UHFFFAOYAM