CAS RN: 221031-08-9
4,5-DIBROMO-2-(3,4-DIFLUOROPHENYL)-3(2H)-PYRIDAZINONE
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.20260519 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS221031-08-9
- Purity/Analytical Methods: >99.0%
221031-08-9 / 4,5-dibromo-2-(3,4-difluorophenyl)pyridazin-3-one
Basic Information
CAS
221031-08-9
Multi CAS
No
Molecular Formula
C10H4Br2F2N2O
Molecular Weight
365.960000
Exact Mass
365.863790
SMILES
C1=CC(=C(C=C1N2C(=O)C(=C(C=N2)Br)Br)F)F
InChI
InChI=1S/C10H4Br2F2N2O/c11-6-4-15-16(10(17)9(6)12)5-1-2-7(13)8(14)3-5/h1-4H
InChIKey
RIDNCXXOUTWXDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
65.15
TPSA
34.89
LogP / Solubility
WLOGP
3.04
MLOGP
2.69
XLogP3
3
Consensus LogP
2.91
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.8
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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