![CAS 583039-87-6 5-Bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/583039-87-6.gif)
CAS RN: 583039-87-6
5-Bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
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.20260322 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS583039-87-6
- Purity/Analytical Methods: >99.0%
583039-87-6 / 5-bromo-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
Basic Information
CAS
583039-87-6
Multi CAS
No
Molecular Formula
BC12H9Rn4
Molecular Weight
289.130000
Exact Mass
288.001060
InChI
InChI=1S/C12H9BrN4/c13-9-6-8-11(14)16-17-12(8)15-10(9)7-4-2-1-3-5-7/h1-6H,(H3,14,15,16,17)
InChIKey
YWOUZBFDRABSLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.44
TPSA
67.59
LogP / Solubility
WLOGP
2.97
MLOGP
2.62
XLogP3
2.8
Consensus LogP
2.8
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
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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