CAS RN: 76816-54-1
1-(PROPANOYL)-PIPERAZINE
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.20260629 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS76816-54-1
- Purity/Analytical Methods: >99.0%
76816-54-1 / 1-piperazin-1-ylpropan-1-one
Basic Information
CAS
76816-54-1
Multi CAS
Yes
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
InChI
InChI=1S/C7H14N2O/c1-2-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
InChIKey
YEQAMPOYHLICPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.74
TPSA
32.34
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.16
XLogP3
-0.5
Consensus LogP
-0.28
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
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
1.5
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