CAS RN: 51356-03-7
2-CHLOROMETHYL-4,5-DICHLOROPYRIDAZIN-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.20251120 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS51356-03-7
- Purity/Analytical Methods: >99.0%
51356-03-7 / 4,5-dichloro-2-(chloromethyl)pyridazin-3-one
Basic Information
CAS
51356-03-7
Multi CAS
No
Molecular Formula
C5H3CL3N2O
Molecular Weight
213.440000
Exact Mass
211.931096
InChI
InChI=1S/C5H3Cl3N2O/c6-2-10-5(11)4(8)3(7)1-9-10/h1H,2H2
InChIKey
VBEUIQSKUWJLSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.37
TPSA
34.89
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1.8
Consensus LogP
1.7
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 51360-57-7
- Product Code: starshine_CAS51360-57-7
- Purity/Analytical method: >99.0%
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