![CAS 947248-50-2 2,2,2-Trifluoro-N-(6-chloroimidazo-[1,2-b]pyridazin-2-yl)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/947248-50-2.gif)
CAS RN: 947248-50-2
2,2,2-Trifluoro-N-(6-chloroimidazo-[1,2-b]pyridazin-2-yl)acetamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260419 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS947248-50-2
- Purity/Analytical Methods: >99.0%
947248-50-2 / N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide
Basic Information
CAS
947248-50-2
Multi CAS
No
Molecular Formula
C8H4CLF3N4O
Molecular Weight
264.590000
Exact Mass
264.002573
InChI
InChI=1S/C8H4ClF3N4O/c9-4-1-2-6-13-5(3-16(6)15-4)14-7(17)8(10,11)12/h1-3H,(H,14,17)
InChIKey
QIQOLQVNKVXLHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.68
TPSA
59.29
LogP / Solubility
WLOGP
1.88
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3
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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