![CAS 215434-40-5 2-[4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYL]PIPERAZINO]ETHAN-1-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/215434-40-5.gif)
CAS RN: 215434-40-5
2-[4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYL]PIPERAZINO]ETHAN-1-OL
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.20260404 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS215434-40-5
- Purity/Analytical Methods: >99.0%
215434-40-5 / 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
Basic Information
CAS
215434-40-5
Multi CAS
No
Molecular Formula
C12H15ClF3N3O
Molecular Weight
309.710000
Exact Mass
309.085574
SMILES
C1CN(CCN1CCO)C2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C12H15ClF3N3O/c13-10-7-9(12(14,15)16)8-17-11(10)19-3-1-18(2-4-19)5-6-20/h7-8,20H,1-6H2
InChIKey
MGPYHYSPNJVXMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.99
TPSA
39.6
LogP / Solubility
WLOGP
1.87
MLOGP
1.66
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
![CAS 215453-35-3 Thieno[3,2-c]pyridin-4-amine (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/215453-35-3.gif)