![CAS 79016-59-4 1,2,3,4-Tetrahydropyrazino[2,1-A]Isoindol-6(10Bh)-One molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/79016-59-4.gif)
CAS RN: 79016-59-4
1,2,3,4-Tetrahydropyrazino[2,1-A]Isoindol-6(10Bh)-One
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.20251218 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS79016-59-4
- Purity/Analytical Methods: >99.0%
79016-59-4 / 2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
Basic Information
CAS
79016-59-4
Multi CAS
No
Molecular Formula
C11H12N2O
Molecular Weight
188.230000
Exact Mass
188.094963
InChI
InChI=1S/C11H12N2O/c14-11-9-4-2-1-3-8(9)10-7-12-5-6-13(10)11/h1-4,10,12H,5-7H2
InChIKey
MHUTWQRLKOUUFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.09
TPSA
32.34
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.3
Consensus LogP
0.59
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.31
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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