![CAS 23590-60-5 8-chloro-6H-pyrido[2,3-d]pyridazin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23590-60-5.gif)
CAS RN: 23590-60-5
8-chloro-6H-pyrido[2,3-d]pyridazin-5-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.20260314 | 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS23590-60-5
- Purity/Analytical Methods: >99.0%
23590-60-5 / 8-chloro-6H-pyrido[2,3-d]pyridazin-5-one
Basic Information
CAS
23590-60-5
Multi CAS
No
Molecular Formula
C7H4ClN3O
Molecular Weight
181.580000
Exact Mass
181.004290
SMILES
C1=CC2=C(C(=NNC2=O)Cl)N=C1
InChI
InChI=1S/C7H4ClN3O/c8-6-5-4(2-1-3-9-5)7(12)11-10-6/h1-3H,(H,11,12)
InChIKey
JIEUZJUEZLTBSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.17
TPSA
58.64
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
1
Consensus LogP
0.94
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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