CAS RN: 117-89-5
Trifluoperazine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250323 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250126 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260426 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250927 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250822 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250417 | 5mg | In stock | Shanghai | Inquiry |
- Product code: LINT875829
117-89-5 / 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
trifluoperazine | Trifluperazine | Trifluoroperazine
Basic Information
CAS
117-89-5
Multi CAS
Yes
Molecular Formula
C21H24F3N3S
Molecular Weight
407.500000
Exact Mass
407.164303
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey
ZEWQUBUPAILYHI-UHFFFAOYSA-N
Synonyms
trifluoperazine
Trifluperazine
Trifluoroperazine
Trifluoperazin
Triperazine
Physical Properties
Melting Point
Cream-colored, fine powder from absolute alcohol; MP: 242-243 °C; pH of 5% aq soln= 2.2, Hygroscopic /Dihydrochloride/
MP: 193-194 °C; crystals from alcohol /Dimaleate/
MP: 173-175 °C /Sulfoxide dihydrochloride trihydrate/
Boiling Point
202-210 °C @ 0.6 mm Hg
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
107.57
TPSA
9.72
LogP / Solubility
WLOGP
4.95
MLOGP
4.38
XLogP3
5
Consensus LogP
4.78
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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