![CAS 36588-50-8 2H-Pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione, tetrahydro-, (9aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36588-50-8.gif)
CAS RN: 36588-50-8
2H-Pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione, tetrahydro-, (9aR)-
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.20250127 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS36588-50-8
- Purity/Analytical Methods: >99.0%
36588-50-8 / 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
Basic Information
CAS
36588-50-8
Multi CAS
Yes
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
InChI
InChI=1S/C8H12N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h6H,1-5H2,(H,9,12)/t6-/m1/s1
InChIKey
YXBLPNSWHUPKPH-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.36
TPSA
49.41
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.45
XLogP3
-0.2
Consensus LogP
-0.38
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.1
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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