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WZ3146

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WZ3146

EINECS
CAS No. 1214265-56-1 Density 1.319g/cm3
Solubility Melting Point
Formula C24H25ClN6O2 Boiling Point
Molecular Weight 464.95 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 1214265-56-1 (WZ3146) Hazard Symbols
Synonyms

WZ3146;

 

WZ3146 Specification

The WZ3146, with CAS registry number 1214265-56-1, has the systematic name of N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide. Its molecular weight is 464.95. And the chemical formula of this chemical is C24H25ClN6O2.

Physical properties of WZ3146: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.523; (4)ACD/LogD (pH 7.4): 2.191; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 21.159; (7)ACD/KOC (pH 5.5): 4.929; (8)ACD/KOC (pH 7.4): 229.475; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 82.62 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 130.258 cm3; (15)Molar Volume: 352.464 cm3; (16)Polarizability: 51.638×10-24cm3; (17)Surface Tension: 62.005 dyne/cm; (18)Density: 1.319 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl
(2)InChI: InChI=1/C24H25ClN6O2/c1-3-22(32)27-18-5-4-6-20(15-18)33-23-21(25)16-26-24(29-23)28-17-7-9-19(10-8-17)31-13-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29)
(3)InChIKey: APHGZZPEOCCYNO-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C24H25ClN6O2/c1-3-22(32)27-18-5-4-6-20(15-18)33-23-21(25)16-26-24(29-23)28-17-7-9-19(10-8-17)31-13-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29)
(5)Std. InChIKey: APHGZZPEOCCYNO-UHFFFAOYSA-N

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