![CAS 5234-86-6 1,3,4,6,7,11b-Hexahydro-2H-pyrazino[2,1-a]isoquinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5234-86-6.gif)
CAS RN: 5234-86-6
1,3,4,6,7,11b-Hexahydro-2H-pyrazino[2,1-a]isoquinoline
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.20260305 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5234-86-6
- Purity/Analytical Methods: >99.0%
5234-86-6 / 2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
Basic Information
CAS
5234-86-6
Multi CAS
Yes
Molecular Formula
C12H16N2
Molecular Weight
188.270000
Exact Mass
188.131349
InChI
InChI=1S/C12H16N2/c1-2-4-11-10(3-1)5-7-14-8-6-13-9-12(11)14/h1-4,12-13H,5-9H2
InChIKey
SCVCXWHEHAKJCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.33
TPSA
15.27
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
1.2
Consensus LogP
1.14
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.02
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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