![CAS 933916-93-9 3-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-4-methoxybenzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/933916-93-9.gif)
CAS RN: 933916-93-9
3-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-4-methoxybenzaldehyde
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.20250520 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS933916-93-9
- Purity/Analytical Methods: >99.0%
933916-93-9 / 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxybenzaldehyde
Basic Information
CAS
933916-93-9
Multi CAS
No
Molecular Formula
C19FH21N2O2
Molecular Weight
328.400000
Exact Mass
328.158706
InChI
InChI=1S/C19H21FN2O2/c1-24-19-7-6-15(14-23)12-16(19)13-21-8-10-22(11-9-21)18-5-3-2-4-17(18)20/h2-7,12,14H,8-11,13H2,1H3
InChIKey
UESWFMZACPWZCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
92.27
TPSA
32.78
LogP / Solubility
WLOGP
2.97
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.83
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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