![CAS 30129-51-2 4-bromopyrazolo[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/30129-51-2.gif)
CAS RN: 30129-51-2
4-bromopyrazolo[3,4-d]pyrimidine
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.20250508 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS30129-51-2
- Purity/Analytical Methods: >99.0%
30129-51-2 / 4-bromo-1H-pyrazolo[5,4-d]pyrimidine
Basic Information
CAS
30129-51-2
Multi CAS
No
Molecular Formula
BC5H3Rn4
Molecular Weight
199.010000
Exact Mass
197.954110
InChI
InChI=1S/C5H3BrN4/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H,7,8,9,10)
InChIKey
HOMHDMLNECTTGL-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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