Flupentixol decanoate supplier

Name
Flupentixol decanoate
EINECS 250-385-6
CAS No. 30909-51-4
Density 1.169 g/cm³
Solubility
Melting Point
Formula C₃₃H₄₃F₃N₂O₂S
Boiling Point 648 °C at 760 mmHg
Molecular Weight 588.778
Flash Point 345.7 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols
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 decanote;Flupentixol decanoate;LU 5-110;a-Flupenthixol decanoate;2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate;
PSA 58.08000
LogP 8.16910

Flupentixol decanoate 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

Product Name

Flupentixol decanoate

Flupentixol decanoate Specification

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