CAS RN: 5368-33-2
1-N-Benzyl-2-phenylpiperazine
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.20250709 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5368-33-2
- Purity/Analytical Methods: >99.0%
5368-33-2 / 1-benzyl-2-phenylpiperazine
Basic Information
CAS
5368-33-2
Multi CAS
Yes
Molecular Formula
C17H20N2
Molecular Weight
252.350000
Exact Mass
252.162649
InChI
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)14-19-12-11-18-13-17(19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKey
FELMQTQLBFMOHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.9
TPSA
15.27
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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