CAS RN: 160568-14-9
zarzissine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251228 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS160568-14-9
- Purity/Analytical Methods: >99.0%
160568-14-9 / 1H-imidazo[4,5-d]pyridazin-2-amine
Basic Information
CAS
160568-14-9
Multi CAS
No
Molecular Formula
C5H5N5
Molecular Weight
135.130000
Exact Mass
135.054495
SMILES
C1=C2C(=CN=N1)N=C(N2)N
InChI
InChI=1S/C5H5N5/c6-5-9-3-1-7-8-2-4(3)10-5/h1-2H,(H3,6,9,10)
InChIKey
BUYBPEINWQQOFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.1
TPSA
80.48
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.06
XLogP3
-0.9
Consensus LogP
-0.34
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
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)
-3.59
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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