CAS RN: 57184-50-6
Piperazine, 1-(2,2-dimethylpropyl)- (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.20250912 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS57184-50-6
- Purity/Analytical Methods: >99.0%
57184-50-6 / 1-(2,2-dimethylpropyl)piperazine
Basic Information
CAS
57184-50-6
Multi CAS
No
Molecular Formula
C9H20N2
Molecular Weight
156.270000
Exact Mass
156.162649
InChI
InChI=1S/C9H20N2/c1-9(2,3)8-11-6-4-10-5-7-11/h10H,4-8H2,1-3H3
InChIKey
QRHQUUUKPRHWRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.76
TPSA
15.27
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
1.3
Consensus LogP
1.02
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.01
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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