![CAS 36357-32-1 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-methyl-, (3S,8aS)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36357-32-1.gif)
CAS RN: 36357-32-1
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-methyl-, (3S,8aS)- (9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS36357-32-1
- Purity/Analytical Methods: >99.0%
36357-32-1 / 3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Basic Information
CAS
36357-32-1
Multi CAS
Yes
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
InChI
InChI=1S/C8H12N2O2/c1-5-8(12)10-4-2-3-6(10)7(11)9-5/h5-6H,2-4H2,1H3,(H,9,11)/t5-,6-/m0/s1
InChIKey
WSLYCILIEOFQPK-WDSKDSINSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.34
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)
-0.33
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
2.5
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