CAS RN: 64579-67-5
1-(cyclobutylcarbonyl)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.20250415 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS64579-67-5
- Purity/Analytical Methods: >99.0%
64579-67-5 / cyclobutyl(piperazin-1-yl)methanone
Basic Information
CAS
64579-67-5
Multi CAS
No
Molecular Formula
C9H16N2O
Molecular Weight
168.240000
Exact Mass
168.126263
InChI
InChI=1S/C9H16N2O/c12-9(8-2-1-3-8)11-6-4-10-5-7-11/h8,10H,1-7H2
InChIKey
FKHMNODTEFBVPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.79
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)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
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)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
