CAS RN: 1698-57-3
3(2H)-Pyridazinone, 6-chloro-2-phenyl-
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.20250103 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1698-57-3
- Purity/Analytical Methods: >99.0%
1698-57-3 / 6-chloro-2-phenylpyridazin-3-one
Basic Information
CAS
1698-57-3
Multi CAS
No
Molecular Formula
C10H7ClN2O
Molecular Weight
206.630000
Exact Mass
206.024691
SMILES
C1=CC=C(C=C1)N2C(=O)C=CC(=N2)Cl
InChI
InChI=1S/C10H7ClN2O/c11-9-6-7-10(14)13(12-9)8-4-2-1-3-5-8/h1-7H
InChIKey
GQMSKWMZVCPIRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.84
TPSA
34.89
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
2.1
Consensus LogP
1.88
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
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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