![CAS 2090040-09-6 7-Chloropyrido[3,4-d]pyridazin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/2090040-09-6.png)
CAS RN: 2090040-09-6
7-Chloropyrido[3,4-d]pyridazin-4(3H)-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.20250630 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
2090040-09-6 / 7-chloro-3H-pyrido[3,4-d]pyridazin-4-one
7-Chloropyrido[3,4-d]pyridazin-4(3H)-one | MFCD30188452 | H39732
Basic Information
CAS
2090040-09-6
Multi CAS
Yes
Molecular Formula
C7H4CLN3O
Molecular Weight
181.580000
Exact Mass
181.004290
SMILES
C1=C2C=NNC(=O)C2=CN=C1Cl
InChI
InChI=1S/C7H4ClN3O/c8-6-1-4-2-10-11-7(12)5(4)3-9-6/h1-3H,(H,11,12)
InChIKey
KBODHKLMBITWHZ-UHFFFAOYSA-N
Synonyms
7-Chloropyrido[3,4-d]pyridazin-4(3H)-one
MFCD30188452
H39732
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
0.6
Consensus LogP
0.81
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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