![CAS 453548-63-5 3-Bromo-6-methoxy-imidazo[1,2-b]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/453548-63-5.gif)
CAS RN: 453548-63-5
3-Bromo-6-methoxy-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.20250126 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS453548-63-5
- Purity/Analytical Methods: >99.0%
453548-63-5 / 3-bromo-6-methoxyimidazo[1,2-b]pyridazine
Basic Information
CAS
453548-63-5
Multi CAS
No
Molecular Formula
BC7H6ORn3
Molecular Weight
228.050000
Exact Mass
226.969420
InChI
InChI=1S/C7H6BrN3O/c1-12-7-3-2-6-9-4-5(8)11(6)10-7/h2-4H,1H3
InChIKey
MSEJHRBBLYGKTI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
47.24
TPSA
39.42
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.7
Consensus LogP
1.51
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
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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