![CAS 612494-07-2 (S)-1-[(R)-2-METHOXY-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYL]-2-METHYL-PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB11009247.gif)
CAS RN: 612494-07-2
(S)-1-[(R)-2-METHOXY-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYL]-2-METHYL-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.20250328 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS612494-07-2
- Purity/Analytical Methods: >99.0%
612494-07-2 / (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine
Basic Information
CAS
612494-07-2
Multi CAS
Yes
Molecular Formula
C15F3H21N2O
Molecular Weight
302.330000
Exact Mass
302.160598
InChI
InChI=1S/C15H21F3N2O/c1-11-9-19-7-8-20(11)14(10-21-2)12-3-5-13(6-4-12)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3/t11-,14-/m0/s1
InChIKey
URQFAVGDNQPJAB-FZMZJTMJSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.1
TPSA
24.5
LogP / Solubility
WLOGP
2.69
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.46
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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