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CAS RN: 106576-37-8
(S)-2-ISOBUTYL-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.20260401 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS106576-37-8
- Purity/Analytical Methods: >99.0%
106576-37-8 / (2S)-2-(2-methylpropyl)piperazine
2-ISOBUTYL-PIPERAZINE | 2-(2-methylpropyl)piperazine | 2-isobutylpiperazine
Basic Information
CAS
106576-37-8
Multi CAS
Yes
Molecular Formula
C8H18N2
Molecular Weight
142.240000
Exact Mass
142.146999
SMILES
CC(C)C[C@H]1CNCCN1
InChI
InChI=1S/C8H18N2/c1-7(2)5-8-6-9-3-4-10-8/h7-10H,3-6H2,1-2H3/t8-/m0/s1
InChIKey
BYYCSTYYULCJLQ-QMMMGPOBSA-N
Synonyms
2-ISOBUTYL-PIPERAZINE
2-(2-methylpropyl)piperazine
2-isobutylpiperazine
Piperazine, 2-(2-methylpropyl)-
R-2-ISOBUTYL-PIPERAZINE
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.12
TPSA
24.06
LogP / Solubility
WLOGP
0.59
MLOGP
0.52
XLogP3
0.9
Consensus LogP
0.67
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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