![CAS 794591-77-8 7-BroMo-3H-pyrido[3,4-d]pyridazin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/794591-77-8.gif)
CAS RN: 794591-77-8
7-BroMo-3H-pyrido[3,4-d]pyridazin-4-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.20260209 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-188633
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
794591-77-8 / 7-bromo-3H-pyrido[3,4-d]pyridazin-4-one
Basic Information
CAS
794591-77-8
Multi CAS
Yes
Molecular Formula
BC7H4ORn3
Molecular Weight
226.030000
Exact Mass
224.953770
InChI
InChI=1S/C7H4BrN3O/c8-6-1-4-2-10-11-7(12)5(4)3-9-6/h1-3H,(H,11,12)
InChIKey
KSZMKWQAQIMWIV-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
47.86
TPSA
58.64
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
0.7
Consensus LogP
0.91
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-3.33
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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