CAS No.167354-41-8,(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	167354-41-8
Name:	(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol

Formula:	C₃₂H₃₁F₂N₃O₂
Molecular Weight:	527.614
Synonyms:	Zosuquidar;
Density:	1.369 g/cm³
Boiling Point:	690.5°C at 760mmHg
Flash Point:	371.4°C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	48.83000
LogP:	5.08720

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- China (Mainland)(19)
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Specification

The cas register number of Zosuquidar is 167354-41-8. It also can be called as Zosuquidar [INN] and the Systematic name about this chemical is UNII-AB5K82X98Y.

Physical properties about Zosuquidar are: (1)ACD/LogP: 2.93 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 1.186 ; (4)ACD/LogD (pH 7.4): 2.72 ; (5)ACD/BCF (pH 5.5): 1.787; (6)ACD/BCF (pH 7.4): 61.176; (7)ACD/KOC (pH 5.5): 16.832; (8)ACD/KOC (pH 7.4): 576.126; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 48.83Å²; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 147.528 cm³; (15)Molar Volume: 385.416 cm³; (16)Surface Tension: 65.61 dyne/cm; (17)Density: 1.369 g/cm³; (18)Flash Point: 371.401 °C; (19)Enthalpy of Vaporization: 106.278 kJ/mol; (20)Boiling Point: 690.499 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: c1ccc2c(c1)[C@H](c3ccccc3[C@H]4[C@@H]2C4(F)F)N5CCN(CC5)C[C@H](COc6cccc7c6cccn7)O
2.InChI: InChI=1/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1
3.InChIKey: IHOVFYSQUDPMCN-DBEBIPAYBM
4.Std. InChI: InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1.