CAS RN: 560132-48-1
6-Methyl-4-(trifluoromethyl)-2,3-dihydropyridazin-3-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.20251013 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS560132-48-1
- Purity/Analytical Methods: >99.0%
560132-48-1 / 3-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one
Basic Information
CAS
560132-48-1
Multi CAS
Yes
Molecular Formula
C6F3H5N2O
Molecular Weight
178.110000
Exact Mass
178.035397
InChI
InChI=1S/C6H5F3N2O/c1-3-2-4(6(7,8)9)5(12)11-10-3/h2H,1H3,(H,11,12)
InChIKey
ZLPLEWTVXFKICX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.6
TPSA
45.75
LogP / Solubility
WLOGP
1.1
MLOGP
0.96
XLogP3
0.5
Consensus LogP
0.85
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.03
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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