CAS RN: 58059-33-9
Pyridazine, 3-chloro-6-(3-nitrophenyl)-
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.20250421 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS58059-33-9
- Purity/Analytical Methods: >99.0%
58059-33-9 / 3-chloro-6-(3-nitrophenyl)pyridazine
Basic Information
CAS
58059-33-9
Multi CAS
No
Molecular Formula
C10H6CLN3O2
Molecular Weight
235.620000
Exact Mass
235.014854
InChI
InChI=1S/C10H6ClN3O2/c11-10-5-4-9(12-13-10)7-2-1-3-8(6-7)14(15)16/h1-6H
InChIKey
LRAQNZJWWRMXFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.13
TPSA
68.92
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.46
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly 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)
-2.24
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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