CAS RN: 147425-79-4
Pyrazinecarboxamide, 5-acetyl- (9CI)
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.20251025 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS147425-79-4
- Purity/Analytical Methods: >99.0%
147425-79-4 / 5-acetylpyrazine-2-carboxamide
Basic Information
CAS
147425-79-4
Multi CAS
No
Molecular Formula
C7H7N3O2
Molecular Weight
165.150000
Exact Mass
165.053826
SMILES
CC(=O)C1=CN=C(C=N1)C(=O)N
InChI
InChI=1S/C7H7N3O2/c1-4(11)5-2-10-6(3-9-5)7(8)12/h2-3H,1H3,(H2,8,12)
InChIKey
ALPVAENMJMTCLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.55
TPSA
85.94
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.2
XLogP3
-1
Consensus LogP
-0.47
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very 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)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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