![CAS 2246364-68-9 2-Bromo-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246364-68-9.gif)
CAS RN: 2246364-68-9
2-Bromo-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-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.20250911 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-109716
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 | Shanghai | Inquiry |
2246364-68-9 / 2-bromo-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
Basic Information
CAS
2246364-68-9
Multi CAS
No
Molecular Formula
C7H8BrN3O
Molecular Weight
230.060000
Exact Mass
228.985070
SMILES
C1CNC(=O)CN2C1=CC(=N2)Br
InChI
InChI=1S/C7H8BrN3O/c8-6-3-5-1-2-9-7(12)4-11(5)10-6/h3H,1-2,4H2,(H,9,12)
InChIKey
JGPKEAXWRNIQLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.64
TPSA
46.92
LogP / Solubility
WLOGP
0.32
MLOGP
0.28
XLogP3
0.8
Consensus LogP
0.47
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.9
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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![CAS 2246556-84-1 tert-Butyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246556-84-1.gif)
