CAS RN: 847026-46-4
4,5-DIIODOPYRIDAZIN-3(2H)-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250126 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS847026-46-4
- Purity/Analytical Methods: >99.0%
847026-46-4 / 4,5-diiodo-1H-pyridazin-6-one
Basic Information
CAS
847026-46-4
Multi CAS
No
Molecular Formula
C4H2I2N2O
Molecular Weight
347.880000
Exact Mass
347.825660
InChI
InChI=1S/C4H2I2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)
InChIKey
UNBXOAJHGTYEPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.29
TPSA
45.75
LogP / Solubility
WLOGP
0.98
MLOGP
0.88
XLogP3
0.6
Consensus LogP
0.82
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-4.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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