![CAS 1355612-95-1 tert-butyl 2-(8-oxo-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1355612-95-1.gif)
CAS RN: 1355612-95-1
tert-butyl 2-(8-oxo-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetate
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.20250201 | 1g / 5g / 10g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1355612-95-1
- Purity/Analytical Methods: >99.0%
1355612-95-1 / tert-butyl 2-(8-oxo-7H-pyrazino[2,3-d]pyridazin-5-yl)acetate
Basic Information
CAS
1355612-95-1
Multi CAS
No
Molecular Formula
C12H14N4O3
Molecular Weight
262.260000
Exact Mass
262.106590
SMILES
CC(C)(C)OC(=O)CC1=NNC(=O)C2=NC=CN=C12
InChI
InChI=1S/C12H14N4O3/c1-12(2,3)19-8(17)6-7-9-10(11(18)16-15-7)14-5-4-13-9/h4-5H,6H2,1-3H3,(H,16,18)
InChIKey
UCEQBWWCTJMMBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
67.5
TPSA
97.83
LogP / Solubility
WLOGP
0.6
MLOGP
0.53
XLogP3
0.6
Consensus LogP
0.58
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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