CAS No.1214265-57-2,WZ8040 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1214265-57-2
Name:	WZ8040
Article Data:	1

Formula:	C₂₄H₂₅ClN₆O_S
Molecular Weight:	481.021
Synonyms:	N-[3-[5-Chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]sulfanylphenyl]prop-2-enamide;
Density:	1.374 g/cm³
PSA:	102.18000
LogP:	5.62650

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Specification

The WZ8040 has CAS registry number 1214265-57-2. This chemical's molecular formula is C₂₄H₂₅ClN₆O_S and molecular weight is 481.0129. What's more, its systematic name is called N-[3-[5-Chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]sulfanylphenyl]prop-2-enamide.

Physical properties about WZ8040 are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.212; (6)ACD/KOC (pH 5.5): 1.544; (7)ACD/KOC (pH 7.4): 72.044; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 98.69 Å²; (12)Index of Refraction: 1.695; (13)Molar Refractivity: 134.549 cm³; (14)Molar Volume: 350.191 cm³; (15)Surface Tension: 72.293 dyne/cm; (16)Density: 1.374 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Sc4cccc(c4)NC(=O)C=C)Cl
(2) InChI: InChI=1/C24H25ClN6OS/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: KIISCIGBPUVZBF-UHFFFAOYAV