![CAS 57061-71-9 1-(2-CHLOROETHYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE DIHYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57061-71-9.gif)
CAS RN: 57061-71-9
1-(2-CHLOROETHYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE DIHYDROCHLORIDE
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.20251004 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS57061-71-9
- Purity/Analytical Methods: >99.0%
57061-71-9 / 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
Basic Information
CAS
57061-71-9
Multi CAS
Yes
Molecular Formula
C13H16CLF3N2
Molecular Weight
292.730000
Exact Mass
292.095411
InChI
InChI=1S/C13H16ClF3N2.2ClH/c14-4-5-18-6-8-19(9-7-18)12-3-1-2-11(10-12)13(15,16)17;;/h1-3,10H,4-9H2;2*1H
InChIKey
LWBQLTGEORFBGY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
70.82
TPSA
6.48
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3.3
Consensus LogP
3.03
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly 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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 57074-21-2
- Product Code: starshine_CAS57074-21-2
- Purity/Analytical method: >99.0%
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