CAS RN: 17180-92-6
4-CHLOROPYRIDAZINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250922 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS17180-92-6
- Purity/Analytical Methods: >99.0%
17180-92-6 / 4-chloropyridazine
Basic Information
CAS
17180-92-6
Multi CAS
No
Molecular Formula
C4H3ClN2
Molecular Weight
114.530000
Exact Mass
113.998476
SMILES
C1=CN=NC=C1Cl
InChI
InChI=1S/C4H3ClN2/c5-4-1-2-6-7-3-4/h1-3H
InChIKey
VQRJGGJXFXWQRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
27.04
TPSA
25.78
LogP / Solubility
WLOGP
1.13
MLOGP
0.98
XLogP3
0.8
Consensus LogP
0.97
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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