![CAS 340759-27-5 1-[4-(TRIFLUOROMETHOXY)BENZYL]PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8199005(1).gif)
CAS RN: 340759-27-5
1-[4-(TRIFLUOROMETHOXY)BENZYL]PIPERAZINE
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.20251013 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS340759-27-5
- Purity/Analytical Methods: >99.0%
340759-27-5 / 1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
Basic Information
CAS
340759-27-5
Multi CAS
Yes
Molecular Formula
C12F3H15N2O
Molecular Weight
260.260000
Exact Mass
260.113648
InChI
InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
InChIKey
YYHAJSIKVDIQNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.27
TPSA
24.5
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
2.3
Consensus LogP
2.02
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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