![CAS 1935233-51-4 3-Chloro-2-methylimidazo[1,2-b]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1935233-51-4.png)
CAS RN: 1935233-51-4
3-Chloro-2-methylimidazo[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.20250604 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: LINC902245
1935233-51-4 / 3-chloro-2-methylimidazo[1,2-b]pyridazine
Basic Information
CAS
1935233-51-4
Multi CAS
No
Molecular Formula
C7H6ClN3
Molecular Weight
167.590000
Exact Mass
167.025025
SMILES
CC1=C(N2C(=N1)C=CC=N2)Cl
InChI
InChI=1S/C7H6ClN3/c1-5-7(8)11-6(10-5)3-2-4-9-11/h2-4H,1H3
InChIKey
NRHBPALXJRBGLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
42.73
TPSA
30.19
LogP / Solubility
WLOGP
1.69
MLOGP
1.48
XLogP3
1.7
Consensus LogP
1.62
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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