![CAS 1233690-88-4 3-iodo-Imidazo[1,2-b]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1233690-88-4.gif)
CAS RN: 1233690-88-4
3-iodo-Imidazo[1,2-b]pyridazine
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.20250623 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1233690-88-4
- Purity/Analytical Methods: >99.0%
1233690-88-4 / 3-iodoimidazo[1,2-b]pyridazine
Basic Information
CAS
1233690-88-4
Multi CAS
No
Molecular Formula
C6H4IN3
Molecular Weight
245.020000
Exact Mass
244.944990
SMILES
C1=CC2=NC=C(N2N=C1)I
InChI
InChI=1S/C6H4IN3/c7-5-4-8-6-2-1-3-9-10(5)6/h1-4H
InChIKey
GNIDBSMXPIOXFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
45.7
TPSA
30.19
LogP / Solubility
WLOGP
1.33
MLOGP
1.18
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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