![CAS 1161847-33-1 Imidazo[1,2-b]pyridazine-8-carboxylic acid, 6-chloro-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1161847-33-1.gif)
CAS RN: 1161847-33-1
Imidazo[1,2-b]pyridazine-8-carboxylic acid, 6-chloro-, ethyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250618 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1161847-33-1
- Purity/Analytical Methods: >99.0%
1161847-33-1 / ethyl 6-chloroimidazo[1,2-b]pyridazine-8-carboxylate
ethyl 6-chloroimidazo[1,2-b]pyridazine-8-carboxylate | Imidazo[1,2-b]pyridazine-8-carboxylic acid, 6-chloro-, ethyl ester | MFCD28501793
Basic Information
CAS
1161847-33-1
Multi CAS
No
Molecular Formula
C9H8ClN3O2
Molecular Weight
225.630000
Exact Mass
225.030504
SMILES
CCOC(=O)C1=CC(=NN2C1=NC=C2)Cl
InChI
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-7(10)12-13-4-3-11-8(6)13/h3-5H,2H2,1H3
InChIKey
CIAQVQZULVRNHZ-UHFFFAOYSA-N
Synonyms
ethyl 6-chloroimidazo[1,2-b]pyridazine-8-carboxylate
Imidazo[1,2-b]pyridazine-8-carboxylic acid, 6-chloro-, ethyl ester
MFCD28501793
SCHEMBL2979049
CIAQVQZULVRNHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.95
TPSA
56.49
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
1.5
Consensus LogP
1.48
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.99
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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