CAS RN: 51517-07-8
Piperazine, 1-(3-methoxy-1-oxopropyl)- (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.20250228 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS51517-07-8
- Purity/Analytical Methods: >99.0%
51517-07-8 / 3-methoxy-1-piperazin-1-ylpropan-1-one
Basic Information
CAS
51517-07-8
Multi CAS
No
Molecular Formula
C8H16N2O2
Molecular Weight
172.220000
Exact Mass
172.121178
InChI
InChI=1S/C8H16N2O2/c1-12-7-2-8(11)10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChIKey
ZAJHSGJGHPJYBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.94
TPSA
41.57
LogP / Solubility
WLOGP
-0.55
MLOGP
-0.48
XLogP3
-1.1
Consensus LogP
-0.71
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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