CAS RN: 1065484-70-9
3-(2-BroMo-pyridin-3-yloxy)-6-chloro-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.20250529 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1065484-70-9
- Purity/Analytical Methods: >99.0%
1065484-70-9 / 3-[(2-bromo-3-pyridinyl)oxy]-6-chloropyridazine
3-(2-Bromo-pyridin-3-yloxy)-6-chloro-pyridazine | 3-((2-Bromopyridin-3-yl)oxy)-6-chloropyridazine | 3-[(2-Bromopyridin-3-yl)oxy]-6-chloropyridazine
Basic Information
CAS
1065484-70-9
Multi CAS
No
Molecular Formula
C9H5BrClN3O
Molecular Weight
286.510000
Exact Mass
284.930450
SMILES
C1=CC(=C(N=C1)Br)OC2=NN=C(C=C2)Cl
InChI
InChI=1S/C9H5BrClN3O/c10-9-6(2-1-5-12-9)15-8-4-3-7(11)13-14-8/h1-5H
InChIKey
AERSMHFXOLIMOA-UHFFFAOYSA-N
Synonyms
3-(2-Bromo-pyridin-3-yloxy)-6-chloro-pyridazine
3-((2-Bromopyridin-3-yl)oxy)-6-chloropyridazine
3-[(2-Bromopyridin-3-yl)oxy]-6-chloropyridazine
3-(2-bromopyridin-3-yl)oxy-6-chloropyridazine
DTXSID20671852
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.05
TPSA
47.9
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
2.6
Consensus LogP
2.8
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly 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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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