CAS RN: 444892-03-9
(S)-N4-Benzyl-2-isobutylpiperazine
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.20250827 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS444892-03-9
- Purity/Analytical Methods: >99.0%
444892-03-9 / 1-benzyl-3-(2-methylpropyl)piperazine
Basic Information
CAS
444892-03-9
Multi CAS
Yes
Molecular Formula
C15H24N2
Molecular Weight
232.360000
Exact Mass
232.193949
InChI
InChI=1S/C15H24N2/c1-13(2)10-15-12-17(9-8-16-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t15-/m0/s1
InChIKey
HQMROSCVRBNRRZ-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.96
TPSA
15.27
LogP / Solubility
WLOGP
2.51
MLOGP
2.21
XLogP3
2.9
Consensus LogP
2.54
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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