![CAS 914349-58-9 4-(4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL)BENZALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914349-58-9.gif)
CAS RN: 914349-58-9
4-(4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL)BENZALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251206 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS914349-58-9
- Purity/Analytical Methods: >99.0%
914349-58-9 / 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]benzaldehyde
Basic Information
CAS
914349-58-9
Multi CAS
No
Molecular Formula
C24F2H22N2O
Molecular Weight
392.400000
Exact Mass
392.170020
InChI
InChI=1S/C24H22F2N2O/c25-21-7-3-19(4-8-21)24(20-5-9-22(26)10-6-20)28-15-13-27(14-16-28)23-11-1-18(17-29)2-12-23/h1-12,17,24H,13-16H2
InChIKey
HSHAONIIJLIMFN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
110.26
TPSA
23.55
LogP / Solubility
WLOGP
4.69
MLOGP
4.15
XLogP3
4.7
Consensus LogP
4.51
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
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)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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