CAS RN: 89868-14-4
4-chloro-6-phenylpyridazin-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.20260515 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS89868-14-4
- Purity/Analytical Methods: >99.0%
89868-14-4 / 5-chloro-3-phenyl-1H-pyridazin-6-one
Basic Information
CAS
89868-14-4
Multi CAS
Yes
Molecular Formula
C10H7CLN2O
Molecular Weight
206.630000
Exact Mass
206.024691
InChI
InChI=1S/C10H7ClN2O/c11-8-6-9(12-13-10(8)14)7-4-2-1-3-5-7/h1-6H,(H,13,14)
InChIKey
QYHNHMDPPWHIBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.3
TPSA
45.75
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-2.5
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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