![CAS 219988-92-8 1-(4-fluorobenzoyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/219988-92-8.gif)
CAS RN: 219988-92-8
1-(4-fluorobenzoyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS219988-92-8
- Purity/Analytical Methods: >99.0%
219988-92-8 / (4-fluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Basic Information
CAS
219988-92-8
Multi CAS
No
Molecular Formula
C20H21FN2O
Molecular Weight
324.400000
Exact Mass
324.163791
SMILES
C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H21FN2O/c21-19-10-8-18(9-11-19)20(24)23-15-13-22(14-16-23)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2/b7-4+
InChIKey
KGVBRCPMEROZKJ-QPJJXVBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
94.22
TPSA
23.55
LogP / Solubility
WLOGP
3.3
MLOGP
2.92
XLogP3
3.4
Consensus LogP
3.21
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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