![CAS 1298031-95-4 8-Bromo-6-chloro-2-cyclopropylimidazo-[1,2-b]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1298031-95-4.gif)
CAS RN: 1298031-95-4
8-Bromo-6-chloro-2-cyclopropylimidazo-[1,2-b]pyridazine
- Product code: SSC-036639
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1298031-95-4 / 8-bromo-6-chloro-2-cyclopropylimidazo[1,2-b]pyridazine
Basic Information
CAS
1298031-95-4
Multi CAS
No
Molecular Formula
C9H7BrClN3
Molecular Weight
272.530000
Exact Mass
270.951190
SMILES
C1CC1C2=CN3C(=N2)C(=CC(=N3)Cl)Br
InChI
InChI=1S/C9H7BrClN3/c10-6-3-8(11)13-14-4-7(5-1-2-5)12-9(6)14/h3-5H,1-2H2
InChIKey
OYSHEISHKRCNMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.67
TPSA
30.19
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
2.6
Consensus LogP
2.76
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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