CAS RN: 2095780-75-7
6-Chloro-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-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.20250806 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC901466
2095780-75-7 / 6-chloro-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one
Basic Information
CAS
2095780-75-7
Multi CAS
No
Molecular Formula
C11H7Cl2FN2O2
Molecular Weight
289.090000
Exact Mass
287.986861
SMILES
COC1=C(C(=C(C=C1)F)N2C(=O)C=CC(=N2)Cl)Cl
InChI
InChI=1S/C11H7Cl2FN2O2/c1-18-7-3-2-6(14)11(10(7)13)16-9(17)5-4-8(12)15-16/h2-5H,1H3
InChIKey
KLFZRWSECZUPKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
66.36
TPSA
44.12
LogP / Solubility
WLOGP
2.69
MLOGP
2.38
XLogP3
2.8
Consensus LogP
2.62
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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