CAS No.280782-97-0,Managlinat dialanetil Suppliers

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Basic Information

Molecular Structure:
CAS No.:	280782-97-0
Name:	Managlinat dialanetil

Formula:	C₂₁H₃₃N₄O₆PS
Molecular Weight:	500.55
Synonyms:	N,N'-((5-(2-Amino-5-(2-methylpropyl)-4-thiazolyl)-2-furanyl)phosphinylidene)bis(alanine) diethyl ester;MB06322;
Density:	1.26 g/cm³
Boiling Point:	634.8 °C at 760 mmHg
Flash Point:	337.7 °C
PSA:	183.83000
LogP:	4.44760

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Specification

This chemical is called Managlinat dialanetil, and it's also named as N,N'-((5-(2-Amino-5-(2-methylpropyl)-4-thiazolyl)-2-furanyl)phosphinylidene)bis(alanine) diethyl ester. With the molecular formula of C₂₁H₃₃N₄O₆PS, its molecular weight is 500.55. The CAS registry number of this chemical is 280782-97-0.

Other characteristics of the Managlinat dialanetil can be summarised as followings: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 14.88; (6)ACD/BCF (pH 7.4): 51.48; (7)ACD/KOC (pH 5.5): 167.41; (8)ACD/KOC (pH 7.4): 579.2; (9)#H bond acceptors: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 183.83 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 126 cm³; (15)Molar Volume: 394.1 cm³; (16)Polarizability: 49.95×10^-24cm³; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 337.7 °C; (20)Enthalpy of Vaporization: 93.82 kJ/mol; (21)Boiling Point: 634.8 °C at 760 mmHg; (22)Vapour Pressure: 5.08E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Nc2nc(c1oc(cc1)P(=O)(NC(C)C(=O)OCC)NC(C)C(=O)OCC)c(CC(C)C)s2
2.InChI: InChI=1/C21H33N4O6PS/c1-7-29-19(26)13(5)24-32(28,25-14(6)20(27)30-8-2)17-10-9-15(31-17)18-16(11-12(3)4)33-21(22)23-18/h9-10,12-14H,7-8,11H2,1-6H3,(H2,22,23)(H2,24,25,28)
3.InChIKey: BYKBUQDQTLDNLE-UHFFFAOYAH