CAS RN: 45764-34-9
1-(1-piperazinyl)-2-Propen-1-one
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.20251125 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS45764-34-9
- Purity/Analytical Methods: >99.0%
45764-34-9 / 1-piperazin-1-ylprop-2-en-1-one
Basic Information
CAS
45764-34-9
Multi CAS
No
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
InChI
InChI=1S/C7H12N2O/c1-2-7(10)9-5-3-8-4-6-9/h2,8H,1,3-6H2
InChIKey
ZVUAMUKZHFTJGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.65
TPSA
32.34
LogP / Solubility
WLOGP
-0.4
MLOGP
-0.36
XLogP3
-0.3
Consensus LogP
-0.35
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.36
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)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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