![CAS 66865-12-1 3-Bromo-5-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/66865-12-1.gif)
CAS RN: 66865-12-1
3-Bromo-5-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-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.20250802 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS66865-12-1
- Purity/Analytical Methods: >99.0%
66865-12-1 / 3-bromo-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
Basic Information
CAS
66865-12-1
Multi CAS
Yes
Molecular Formula
BC6H5ORn4
Molecular Weight
229.030000
Exact Mass
227.964670
InChI
InChI=1S/C6H5BrN4O/c1-11-2-8-5-3(6(11)12)4(7)9-10-5/h2H,1H3,(H,9,10)
InChIKey
QFVXBJGDTRBUKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.83
TPSA
63.57
LogP / Solubility
WLOGP
0.42
MLOGP
0.37
XLogP3
0.5
Consensus LogP
0.43
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.82
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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