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CAS 2746-81-8 fluphenazine O-enantate molecular structure lightbox
CAS RN: 2746-81-8

fluphenazine O-enantate

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250803 10mg In stock Inquiry
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  • Product code: starshine_CAS2746-81-8
  • Purity/Analytical Methods: >99.0%
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2746-81-8 / 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl heptanoate

Standard CAS: 2746-81-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2746-81-8
Multi CAS
Yes
Molecular Formula
C29H38F3N3O2S
Molecular Weight
549.700000
Exact Mass
549.263683
InChI
InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3
InChIKey
LRWSFOSWNAQHHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
146.23
TPSA
36.02

LogP / Solubility

WLOGP
6.83
MLOGP
6.05
XLogP3
7.4
Consensus LogP
6.76
Log S (ESOL)
-6.99
Class (ESOL)
Insoluble
Log S (Ali)
-9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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