CAS RN: 115514-66-4
Pyridazine, 4-bromo- (9CI)
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.20260224 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS115514-66-4
- Purity/Analytical Methods: >99.0%
115514-66-4 / 4-bromopyridazine
4-BROMOPYRIDAZINE | Pyridazine, 4-bromo- | 4-BROMO-PYRIDAZINE
Basic Information
CAS
115514-66-4
Multi CAS
Yes
Molecular Formula
C4H3BrN2
Molecular Weight
158.980000
Exact Mass
157.947960
SMILES
C1=CN=NC=C1Br
InChI
InChI=1S/C4H3BrN2/c5-4-1-2-6-7-3-4/h1-3H
InChIKey
BZJSAOCTEXRSME-UHFFFAOYSA-N
Synonyms
4-BROMOPYRIDAZINE
Pyridazine, 4-bromo-
4-BROMO-PYRIDAZINE
Pyridazine, 4-bromo- (9CI)
4-bromopyridazine(HBr form)
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
29.73
TPSA
25.78
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
0.8
Consensus LogP
1.04
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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