![CAS 1096984-21-2 6-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1096984-21-2.gif)
CAS RN: 1096984-21-2
6-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazine
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250916 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1096984-21-2
- Purity/Analytical Methods: >99.0%
1096984-21-2 / 6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine | 6-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazine | SCHEMBL1772796
Basic Information
CAS
1096984-21-2
Multi CAS
No
Molecular Formula
C12H9ClN4O
Molecular Weight
260.680000
Exact Mass
260.046489
SMILES
COC1=CC=CC=C1C2=NN=C3N2N=C(C=C3)Cl
InChI
InChI=1S/C12H9ClN4O/c1-18-9-5-3-2-4-8(9)12-15-14-11-7-6-10(13)16-17(11)12/h2-7H,1H3
InChIKey
GXUBQSBQEVKADQ-UHFFFAOYSA-N
Synonyms
6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
6-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazine
SCHEMBL1772796
GXUBQSBQEVKADQ-UHFFFAOYSA-N
AKOS009332530
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
67.78
TPSA
52.31
LogP / Solubility
WLOGP
2.45
MLOGP
2.17
XLogP3
2.3
Consensus LogP
2.31
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.57
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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