CAS RN: 70403-11-1
2-(1,4-dibenzylpiperazin-2-yl)acetonitrile
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.20250619 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS70403-11-1
- Purity/Analytical Methods: >99.0%
70403-11-1 / 2-(1,4-dibenzylpiperazin-2-yl)acetonitrile
Basic Information
CAS
70403-11-1
Multi CAS
Yes
Molecular Formula
C20H23N3
Molecular Weight
305.400000
Exact Mass
305.189198
InChI
InChI=1S/C20H23N3/c21-12-11-20-17-22(15-18-7-3-1-4-8-18)13-14-23(20)16-19-9-5-2-6-10-19/h1-10,20H,11,13-17H2
InChIKey
NMFYHCYOYUZSSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
92.59
TPSA
30.27
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
2.8
Consensus LogP
3
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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