CAS RN: 25005-96-3
2,3-BIS(2-PYRIDYL)PYRAZINE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS25005-96-3
- Purity/Analytical Methods: >99.0%
25005-96-3 / 2,3-dipyridin-2-ylpyrazine
Basic Information
CAS
25005-96-3
Multi CAS
No
Molecular Formula
C14H10N4
Molecular Weight
234.260000
Exact Mass
234.090546
SMILES
C1=CC=NC(=C1)C2=NC=CN=C2C3=CC=CC=N3
InChI
InChI=1S/C14H10N4/c1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12/h1-10H
InChIKey
WTZDTUCKEBDJIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
68.49
TPSA
51.56
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
1.3
Consensus LogP
2.06
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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