![CAS 56915-80-1 1-[3-(4-METHYL-PIPERAZIN-1-YL)-PHENYL]-ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56915-80-1.gif)
CAS RN: 56915-80-1
1-[3-(4-METHYL-PIPERAZIN-1-YL)-PHENYL]-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.20260514 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS56915-80-1
- Purity/Analytical Methods: >99.0%
56915-80-1 / 1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone
Basic Information
CAS
56915-80-1
Multi CAS
No
Molecular Formula
C13H18N2O
Molecular Weight
218.290000
Exact Mass
218.141913
InChI
InChI=1S/C13H18N2O/c1-11(16)12-4-3-5-13(10-12)15-8-6-14(2)7-9-15/h3-5,10H,6-9H2,1-2H3
InChIKey
UOADBNQWYZHSLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
66.16
TPSA
23.55
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-2.89
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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