CAS RN: 177648-99-6
3,6-Di(1H-imidazol-1-yl)pyridazine
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.20250204 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS177648-99-6
- Purity/Analytical Methods: >99.0%
177648-99-6 / 3,6-di(imidazol-1-yl)pyridazine
Basic Information
CAS
177648-99-6
Multi CAS
No
Molecular Formula
C10H8N6
Molecular Weight
212.210000
Exact Mass
212.081044
SMILES
C1=CC(=NN=C1N2C=CN=C2)N3C=CN=C3
InChI
InChI=1S/C10H8N6/c1-2-10(16-6-4-12-8-16)14-13-9(1)15-5-3-11-7-15/h1-8H
InChIKey
HGHPOOTWIHFSSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
56.28
TPSA
61.42
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
Consensus LogP
0.53
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.41
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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