![CAS 91646-45-6 1-[4-(2-AMINOPHENYL)PIPERAZIN-1-YL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/91646-45-6.gif)
CAS RN: 91646-45-6
1-[4-(2-AMINOPHENYL)PIPERAZIN-1-YL]ETHANONE
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.20250509 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS91646-45-6
- Purity/Analytical Methods: >99.0%
91646-45-6 / 1-[4-(2-aminophenyl)piperazin-1-yl]ethanone
Basic Information
CAS
91646-45-6
Multi CAS
No
Molecular Formula
C12H17N3O
Molecular Weight
219.280000
Exact Mass
219.137162
InChI
InChI=1S/C12H17N3O/c1-10(16)14-6-8-15(9-7-14)12-5-3-2-4-11(12)13/h2-5H,6-9,13H2,1H3
InChIKey
PRAAXUFHOPUWRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.32
TPSA
49.57
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
0.6
Consensus LogP
0.79
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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