CAS RN: 1005036-23-6
3-Bromo-6-(pyridin-2-yl)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.20260324 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1005036-23-6
- Purity/Analytical Methods: >99.0%
1005036-23-6 / 3-bromo-6-pyridin-2-ylpyridazine
3-Bromo-6-(pyridin-2-yl)pyridazine | 3-Bromo-6-pyridin-2-yl-pyridazine | Pyridazine, 3-bromo-6-(2-pyridinyl)-
Basic Information
CAS
1005036-23-6
Multi CAS
No
Molecular Formula
C9H6BrN3
Molecular Weight
236.070000
Exact Mass
234.974510
SMILES
C1=CC=NC(=C1)C2=NN=C(C=C2)Br
InChI
InChI=1S/C9H6BrN3/c10-9-5-4-8(12-13-9)7-3-1-2-6-11-7/h1-6H
InChIKey
QUJNQFBBRLQCAX-UHFFFAOYSA-N
Synonyms
3-Bromo-6-(pyridin-2-yl)pyridazine
3-Bromo-6-pyridin-2-yl-pyridazine
Pyridazine, 3-bromo-6-(2-pyridinyl)-
3-Bromo-6-(2-pyridyl)pyridazine
3-bromo-6-pyridin-2-ylpyridazine
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.96
TPSA
38.67
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
1.5
Consensus LogP
1.94
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.53
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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