![CAS 125743-59-1 1-[4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-PHENYL]-ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/125743-59-1.gif)
CAS RN: 125743-59-1
1-[4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-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.20260624 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS125743-59-1
- Purity/Analytical Methods: >99.0%
125743-59-1 / 1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
Basic Information
CAS
125743-59-1
Multi CAS
No
Molecular Formula
C14H20N2O
Molecular Weight
232.320000
Exact Mass
232.157563
SMILES
CC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C
InChI
InChI=1S/C14H20N2O/c1-12(17)14-5-3-13(4-6-14)11-16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3
InChIKey
KMDROOZVJSEIKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
69.22
TPSA
23.55
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.3
Consensus LogP
1.46
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.98
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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