CAS No.5840-22-2,2-Hydroxy-N-(4-methoxy-2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5840-22-2
Name:	2-Hydroxy-N-(4-methoxy-2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide

Formula:	C₂₅H₂₀N₂O₃
Molecular Weight:	396.4379
Synonyms:	11H-Benzo[a]carbazole-3-carbox-p-anisidide,2-hydroxy-2'-methyl- (6CI,7CI,8CI);3'-Hydroxybenzocarbazole-2'-carboxylicacid-p-methoxy-o-methylanilide;Amanil Naphthol AS-SR;C.I. 37590;C.I. AzoicCoupling Component 25;Naphtanilide SR;Naphthol AS-SR;Naphtol AS-SRLL;Tulathol AS SR;
EINECS:	227-429-8
Density:	1.378 g/cm³
Boiling Point:	603.7 °C at 760 mmHg
Flash Point:	318.9 °C
PSA:	74.35000
LogP:	5.82220

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Specification

The 2-Hydroxy-N-(4-methoxy-2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide, with the CAS registry number 5840-22-2 and EINECS registry number 227-429-8, is also called 11H-benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxy-2-methylphenyl)-. And the molecular formula of the chemical is C₂₅H₂₀N₂O₃.

The characteristics of 2-Hydroxy-N-(4-methoxy-2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide are as followings: (1)ACD/LogP: 6.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.41; (4)ACD/LogD (pH 7.4): 6.4; (5)ACD/BCF (pH 5.5): 43907.05; (6)ACD/BCF (pH 7.4): 43213.76; (7)ACD/KOC (pH 5.5): 73210.36; (8)ACD/KOC (pH 7.4): 72054.37; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.7 Å²; (13)Index of Refraction: 1.792; (14)Molar Refractivity: 122.17 cm³; (15)Molar Volume: 287.6 cm³; (16)Polarizability: 48.43×10^-24cm³; (17)Surface Tension: 68.3 dyne/cm; (18)Density: 1.378 g/cm³; (19)Flash Point: 318.9 °C; (20)Enthalpy of Vaporization: 93.09 kJ/mol; (21)Boiling Point: 603.7 °C at 760 mmHg; (22)Vapour Pressure: 3.62E-15 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c4c(O)cc3c2c(c1c(cccc1)n2)ccc3c4)Nc5ccc(OC)cc5C
(2)InChI: InChI=1/C25H20N2O3/c1-14-11-16(30-2)8-10-21(14)27-25(29)20-12-15-7-9-18-17-5-3-4-6-22(17)26-24(18)19(15)13-23(20)28/h3-13,26,28H,1-2H3,(H,27,29)
(3)InChIKey: GMGDWNYWMLZUEF-UHFFFAOYAG