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CAS 69-23-8 FLUPHENAZINE molecular structure lightbox
CAS RN: 69-23-8

FLUPHENAZINE

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Batchno.20250826 100mg In stock Inquiry
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  • Product code: starshine_CAS69-23-8
  • Purity/Analytical Methods: >99.0%
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69-23-8 / 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol

Standard CAS: 69-23-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
69-23-8
Multi CAS
Yes
Molecular Formula
C22F3H26N3OS
Molecular Weight
437.500000
Exact Mass
437.174868
InChI
InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
InChIKey
PLDUPXSUYLZYBN-UHFFFAOYSA-N

Physical Properties

Melting Point
224-226 (Salt) Crystals from absolute alcohol. MP: 235-237 °C, also reported as 224.5-226 °C /Fluphenazine dihydrochloride/ Pale yellow-orange, viscous liquid. Slowly crystallizes at room temperature. MP: 30-32 °C. Very soluble in chloroform, ether, cyclohexane, methanol, ethanol. Insoluble in water /Fluphenazine decanoate/ < 25 °C
Boiling Point
268-274 °C at 5.00E-01 mm Hg BP: 250-252 °C at 0.3 mm Hg; 268-274 °C at 0.5 mm Hg
Physical Description
Solid
Appearance
Dark brown viscous oil
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
113.6
TPSA
29.95

LogP / Solubility

WLOGP
4.31
MLOGP
3.82
XLogP3
4.4
Consensus LogP
4.18
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
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)
-2.33

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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