CAS RN: 186386-95-8
1-(2-TRIFLUOROMETHOXY-PHENYL)-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.20250130 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS186386-95-8
- Purity/Analytical Methods: >99.0%
186386-95-8 / 1-[2-(trifluoromethoxy)phenyl]piperazine
Basic Information
CAS
186386-95-8
Multi CAS
No
Molecular Formula
C11H13F3N2O
Molecular Weight
246.230000
Exact Mass
246.097998
SMILES
C1CN(CCN1)C2=CC=CC=C2OC(F)(F)F
InChI
InChI=1S/C11H13F3N2O/c12-11(13,14)17-10-4-2-1-3-9(10)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChIKey
NONHMRZXKRBXRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.21
TPSA
24.5
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
2.6
Consensus LogP
2.12
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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