![CAS 914349-61-4 2-{4-[Bis(4-fluorophenyl)methyl]piperazinyl}benzyl alcohol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914349-61-4.gif)
CAS RN: 914349-61-4
2-{4-[Bis(4-fluorophenyl)methyl]piperazinyl}benzyl alcohol
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.20260412 | 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS914349-61-4
- Purity/Analytical Methods: >99.0%
914349-61-4 / [2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]methanol
Basic Information
CAS
914349-61-4
Multi CAS
No
Molecular Formula
C24F2H24N2O
Molecular Weight
394.500000
Exact Mass
394.185670
InChI
InChI=1S/C24H24F2N2O/c25-21-9-5-18(6-10-21)24(19-7-11-22(26)12-8-19)28-15-13-27(14-16-28)23-4-2-1-3-20(23)17-29/h1-12,24,29H,13-17H2
InChIKey
JSFGZPUFCTXDJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
110.79
TPSA
26.71
LogP / Solubility
WLOGP
4.37
MLOGP
3.87
XLogP3
4.4
Consensus LogP
4.21
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
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)
-2.02
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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