CAS RN: 612493-89-7
Piperazine, 1-acetyl-3-methyl-, (3S)- (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.20260520 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS612493-89-7
- Purity/Analytical Methods: >99.0%
612493-89-7 / 1-(3-methylpiperazin-1-yl)ethanone
Basic Information
CAS
612493-89-7
Multi CAS
Yes
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
InChI
InChI=1S/C7H14N2O/c1-6-5-9(7(2)10)4-3-8-6/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
BRAYYCBKNOERRJ-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.72
TPSA
32.34
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.16
XLogP3
-0.5
Consensus LogP
-0.28
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
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)
-3.71
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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