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Screening compounds

trans-Flupenthixol

Also known as trans-(E)-Flupentixol, 2-(4-(3-(2-(trifluoromethyl)thioxanthen-9-ylidene)propyl)piperazin-1-yl)ethanol, trans-Flupentixol

CAS 53772-85-3Formula C23H25F3N2OSMolar mass 434.53 g/molEC 258-759-0
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trans-Flupenthixol chemical structure, C23H25F3N2OS, CAS 53772-85-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53772-85-3
Formula
C23H25F3N2OS
Molar mass
434.53 g/mol
EC number
258-759-0
HS code
293499
Category
Screening compounds

What is trans-Flupenthixol?

Plain description, key identifiers and synonyms

2-[4-[3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-1-piperazinyl]ethanol is a member of thioxanthenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
CAS number
53772-85-3 CAS number cross-checked
EC number
258-759-0
Molecular formula
C23H25F3N2OS
UNII
895OJP78MJ
InChIKey
NJMYODHXAKYRHW-BLLMUTORSA-N
InChI
InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
Canonical SMILES
OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
Isomeric SMILES
C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

Synonyms

  • trans-(E)-Flupentixol
  • 2-(4-(3-(2-(trifluoromethyl)thioxanthen-9-ylidene)propyl)piperazin-1-yl)ethanol
  • trans-Flupentixol
  • beta-Flupenthixol
  • (E)-Flupenthixol
  • E-Flupentixol
  • Flupentixol, (E)-
  • E-flupenthixol
  • 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
  • Flupentiol
  • Flupenthixol, Beta
  • 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, (E)-
  • FLUPENTHIXOL, Alpha
  • Flupentixole
  • 1-Piperazineethanol, 4-[(3E)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-
  • 1-Piperazineethanol, 4-((3E)-3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-
  • trans(E)Flupenthixol
  • (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol
  • 2-[4-[3-[(EZ)-2-(tri?uoromethyl)-9H-thioxanthen-9ylidene]propyl]piperazin-1-yl]ethanol
  • PDSP1_001542
  • PDSP1_001543
  • PDSP2_001526
  • PDSP2_001527
  • (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazine-1-ethanol
  • (Z)-2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
Show all 32 synonyms
  • 2-(4-{3-[2-Trifluoromethyl-thioxanthen-(9E)-ylidene]-propyl}-piperazin-1-yl)-ethanol
  • 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol
  • (cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol(Flupentixol)
  • (trans-flupenthixol)2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol
  • 2-(4-{(3E)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol
  • 4-((3E)-3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol
  • FLUPENTHIXOL2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
434.53 g/molcalc.
Exact mass
434.164 Dacalc.
LogP (octanol/water)
4.6calc.
Topological polar surface area
26.71 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C(CCN1CCNCC1)=C1c2ccccc2Sc2ccccc21

C(CCN1CCNCC1)=C1c2ccccc2Sc2ccccc21

4 rings, 23 atoms.

67 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

trans-Flupenthixol suppliers

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trans-Flupenthixol price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code trans-Flupenthixol is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for trans-Flupenthixol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about trans-Flupenthixol, based on the data on this page

What is trans-Flupenthixol?

2-[4-[3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-1-piperazinyl]ethanol is a member of thioxanthenes.

What is the CAS number of trans-Flupenthixol?

The CAS registry number of trans-Flupenthixol is 53772-85-3.

What is the molecular formula and weight of trans-Flupenthixol?

The molecular formula of trans-Flupenthixol is C23H25F3N2OS and its molar mass is 434.53 g/mol.

What is trans-Flupenthixol used for?

Known uses and roles of trans-Flupenthixol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is trans-Flupenthixol hazardous?

No GHS hazard classification for trans-Flupenthixol is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of trans-Flupenthixol?

trans-Flupenthixol is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy trans-Flupenthixol?

Post a free request on CompoundList and suppliers of trans-Flupenthixol will send you quotes. Your contact details stay private until you accept a quote.

What is the price of trans-Flupenthixol?

Suppliers quote trans-Flupenthixol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle trans-Flupenthixol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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