![CAS 1251033-27-8 3-bromo-1H-pyrazolo[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251033-27-8.gif)
CAS RN: 1251033-27-8
3-bromo-1H-pyrazolo[3,4-d]pyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250621 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-029763
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1251033-27-8 / 3-bromo-2H-pyrazolo[3,4-d]pyrimidine
Basic Information
CAS
1251033-27-8
Multi CAS
No
Molecular Formula
C5H3BrN4
Molecular Weight
199.010000
Exact Mass
197.954110
SMILES
C1=NC=NC2=NNC(=C21)Br
InChI
InChI=1S/C5H3BrN4/c6-4-3-1-7-2-8-5(3)10-9-4/h1-2H,(H,7,8,9,10)
InChIKey
OHDYDXVLQKCZRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.38
TPSA
54.46
LogP / Solubility
WLOGP
1.12
MLOGP
0.98
XLogP3
1.2
Consensus LogP
1.1
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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
Leadlikeness
No
Synthetic Accessibility
1.5
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