CAS RN: 533930-18-6
di(pyrazin-2-yl)amine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260531 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LIND914013
533930-18-6 / N-pyrazin-2-ylpyrazin-2-amine
Basic Information
CAS
533930-18-6
Multi CAS
No
Molecular Formula
C8H7N5
Molecular Weight
173.170000
Exact Mass
173.070145
InChI
InChI=1S/C8H7N5/c1-3-11-7(5-9-1)13-8-6-10-2-4-12-8/h1-6H,(H,11,12,13)
InChIKey
NGUJZUZCTOZSMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.35
TPSA
63.59
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
-0.1
Consensus LogP
0.6
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
