CAS RN: 681483-76-1
Piperazinone, 1-(1,1-dimethylethyl)- (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.20250818 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS681483-76-1
- Purity/Analytical Methods: >99.0%
681483-76-1 / 1-tert-butylpiperazin-2-one
Basic Information
CAS
681483-76-1
Multi CAS
No
Molecular Formula
C8H16N2O
Molecular Weight
156.230000
Exact Mass
156.126263
InChI
InChI=1S/C8H16N2O/c1-8(2,3)10-5-4-9-6-7(10)11/h9H,4-6H2,1-3H3
InChIKey
TZHWGNAPUMDIQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.34
TPSA
32.34
LogP / Solubility
WLOGP
0.22
MLOGP
0.19
XLogP3
0.1
Consensus LogP
0.17
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-3.52
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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