CAS RN: 88393-94-6

Pyrazinecarboxamide, N-methyl- (7CI,9CI)

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Batchno.20250924 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS88393-94-6
  • Purity/Analytical Methods: >99.0%
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88393-94-6 / N-methylpyrazine-2-carboxamide

Standard CAS: 88393-94-6 Multi CAS: No

Basic Information

CAS
88393-94-6
Multi CAS
No
Molecular Formula
C6H7N3O
Molecular Weight
137.140000
Exact Mass
137.058912
InChI
InChI=1S/C6H7N3O/c1-7-6(10)5-4-8-2-3-9-5/h2-4H,1H3,(H,7,10)
InChIKey
OPVFDBZMQPCJEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.42
TPSA
54.88

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.15
XLogP3
-0.2
Consensus LogP
-0.17
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-3.67

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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