CAS RN: 132917-41-0
1-Piperazineaceticacid,-alpha-,4-dimethyl-,methylester(9CI)
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.20251001 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS132917-41-0
- Purity/Analytical Methods: >99.0%
132917-41-0 / methyl 2-(4-methylpiperazin-1-yl)propanoate
Basic Information
CAS
132917-41-0
Multi CAS
No
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
SMILES
CC(C(=O)OC)N1CCN(CC1)C
InChI
InChI=1S/C9H18N2O2/c1-8(9(12)13-3)11-6-4-10(2)5-7-11/h8H,4-7H2,1-3H3
InChIKey
WREPJBHFBCABIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
50.55
TPSA
32.78
LogP / Solubility
WLOGP
-0.2
MLOGP
-0.18
XLogP3
0.4
Consensus LogP
0.01
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
Class (SILICOS-IT)
Very 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)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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