CAS RN: 52240-08-1
3-(6-Oxo-1,6-dihydro-3-pyridazinyl)benzonitrile
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.20250708 | 1g / 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-159336
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
52240-08-1 / 3-(6-oxo-1H-pyridazin-3-yl)benzonitrile
Basic Information
CAS
52240-08-1
Multi CAS
No
Molecular Formula
C11H7N3O
Molecular Weight
197.190000
Exact Mass
197.058912
InChI
InChI=1S/C11H7N3O/c12-7-8-2-1-3-9(6-8)10-4-5-11(15)14-13-10/h1-6H,(H,14,15)
InChIKey
INFIYPRKBSENAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.01
TPSA
69.54
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
1
Consensus LogP
1.15
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-2.99
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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