CAS RN: 2568-51-6
2-Phenyl-4,6-dichloropiridazin-3-(2H)-one
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.20250424 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2568-51-6
- Purity/Analytical Methods: >99.0%
2568-51-6 / 4,6-dichloro-2-phenylpyridazin-3-one
Basic Information
CAS
2568-51-6
Multi CAS
No
Molecular Formula
C10H6Cl2N2O
Molecular Weight
241.070000
Exact Mass
239.985718
SMILES
C1=CC=C(C=C1)N2C(=O)C(=CC(=N2)Cl)Cl
InChI
InChI=1S/C10H6Cl2N2O/c11-8-6-9(12)13-14(10(8)15)7-4-2-1-3-5-7/h1-6H
InChIKey
SPBXHODOBMVHQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.85
TPSA
34.89
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.9
Consensus LogP
2.56
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.39
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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- CAS RN: 25688-67-9
- Product Code: starshine_CAS25688-67-9
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