![CAS 944902-17-4 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944902-17-4.gif)
CAS RN: 944902-17-4
3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260523 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260528 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250521 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250906 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250617 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250412 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260414 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-209459
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 | Beijing | Inquiry |
944902-17-4 / 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine
Basic Information
CAS
944902-17-4
Multi CAS
No
Molecular Formula
C5HBRCL2N4
Molecular Weight
267.900000
Exact Mass
265.876160
InChI
InChI=1S/C5HBrCl2N4/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H,9,10,11,12)
InChIKey
XTVZOIZUAZZTOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.4
TPSA
54.46
LogP / Solubility
WLOGP
2.42
MLOGP
2.14
XLogP3
3.1
Consensus LogP
2.55
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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