CAS RN: 54256-45-0
1-OCTYLPIPERAZINE
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.20250513 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54256-45-0
- Purity/Analytical Methods: >99.0%
54256-45-0 / 1-octylpiperazine
Basic Information
CAS
54256-45-0
Multi CAS
No
Molecular Formula
C12H26N2
Molecular Weight
198.350000
Exact Mass
198.209599
InChI
InChI=1S/C12H26N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h13H,2-12H2,1H3
InChIKey
RRZDZQLIIMBIDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.69
TPSA
15.27
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
3
Consensus LogP
2.41
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly 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)
-2.33
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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