Home >> Chemicals Listing >> hot product list by D  

Decanoic acid,2-[4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazinyl]ethylester (30909-51-4)

Identification
Name:Decanoic acid,2-[4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazinyl]ethylester
Synonyms:Decanoicacid, 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]-1-piperazinyl]ethylester (8CI);1-Piperazineethanol,4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]-, decanoate (ester)(8CI);Depixol;Flupenthixol decanoate;Flupenthixol decanote;Flupentixol decanoate;LU 5-110;a-Flupenthixol decanoate;2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate;
CAS:30909-51-4
EINECS: 250-385-6
Molecular Formula: C33H43F3N2O2S
Molecular Weight: 588.7669
InChI: InChI=1/C33H43F3N2O2S/c1-2-3-4-5-6-7-8-15-32(39)40-24-23-38-21-19-37(20-22-38)18-11-13-27-28-12-9-10-14-30(28)41-31-17-16-26(25-29(27)31)33(34,35)36/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13+
Molecular Structure: (C33H43F3N2O2S) Decanoicacid, 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]-1-piperazinyl]ethylester (8C...
Properties
Density:1.169 g/cm3
Refractive index:1.562
Specification:

The Flupentixol decanoate, with the CAS registry number 30909-51-4 and EINECS registry number 250-385-6, has the systematic name of 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate. And the molecular formula of the chemical is C33H43F3N2O2S.

The characteristics of Flupentixol decanoate are as followings: (1)ACD/LogP: 9.30; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.21; (4)ACD/LogD (pH 7.4): 9.24; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 15; (8)Polar Surface Area: 58.08 Å2; (9)Index of Refraction: 1.562; (10)Molar Refractivity: 163.47 cm3; (11)Molar Volume: 503.5 cm3; (12)Polarizability: 64.8×10-24cm3; (13)Surface Tension: 43.4 dyne/cm; (14)Density: 1.169 g/cm3; (15)Flash Point: 345.7 °C; (16)Enthalpy of Vaporization: 95.54 kJ/mol; (17)Boiling Point: 648 °C at 760 mmHg; (18)Vapour Pressure: 1.12E-16 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCCCCCCCC(=O)OCCN1CCN(CC1)CCC=C2c4ccccc4Sc3ccc(cc23)C(F)(F)F
(2)InChI: InChI=1/C33H43F3N2O2S/c1-2-3-4-5-6-7-8-15-32(39)40-24-23-38-21-19-37(20-22-38)18-11-13-27-28-12-9-10-14-30(28)41-31-17-16-26(25-29(27)31)33(34,35)36/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3
(3)InChIKey: UIKWDDSLMBHIFT-UHFFFAOYAW

Safety Data
 

Other Product