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CAS RN: 1116743-29-3
3-chloro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250405 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1116743-29-3
- Purity/Analytical Methods: >99.0%
1116743-29-3 / 3-chloro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
3-chloro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine | 3-chloro-6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazine | SCHEMBL2764139
Basic Information
CAS
1116743-29-3
Multi CAS
No
Molecular Formula
C11H6ClFN4
Molecular Weight
248.640000
Exact Mass
248.026502
SMILES
C1=CC(=CC=C1C2=NN3C(=NN=C3Cl)C=C2)F
InChI
InChI=1S/C11H6ClFN4/c12-11-15-14-10-6-5-9(16-17(10)11)7-1-3-8(13)4-2-7/h1-6H
InChIKey
UFYSEIRQWVNZCO-UHFFFAOYSA-N
Synonyms
3-chloro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
3-chloro-6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazine
SCHEMBL2764139
UFYSEIRQWVNZCO-UHFFFAOYSA-N
AT13895
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
61.19
TPSA
43.08
LogP / Solubility
WLOGP
2.58
MLOGP
2.28
XLogP3
2.5
Consensus LogP
2.45
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.4
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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