![CAS 1009597-84-5 2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1009597-84-5.gif)
CAS RN: 1009597-84-5
2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione(SALTDATA: FREE)
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.20251230 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1009597-84-5
- Purity/Analytical Methods: >99.0%
1009597-84-5 / 2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione
2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione | 8-METHYLHEXAHYDRO-2H-PYRAZINO[1,2-A]PYRAZINE-6,9-DIONE | MFCD18381900
Basic Information
CAS
1009597-84-5
Multi CAS
No
Molecular Formula
C8H13N3O2
Molecular Weight
183.210000
Exact Mass
183.100777
SMILES
CN1CC(=O)N2CCNCC2C1=O
InChI
InChI=1S/C8H13N3O2/c1-10-5-7(12)11-3-2-9-4-6(11)8(10)13/h6,9H,2-5H2,1H3
InChIKey
WKWGCEBRIXQAHA-UHFFFAOYSA-N
Synonyms
2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
8-METHYLHEXAHYDRO-2H-PYRAZINO[1,2-A]PYRAZINE-6,9-DIONE
MFCD18381900
2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione
2-Methylhexahydro-1H-pyrazino[1,2-a]pyrazine-1,4(6H)-dione
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.01
TPSA
52.65
LogP / Solubility
WLOGP
-1.74
MLOGP
-1.53
XLogP3
-1.6
Consensus LogP
-1.62
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.59
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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