![CAS 1416714-23-2 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416714-23-2.gif)
CAS RN: 1416714-23-2
5-bromo-1-(tetrahydro-2H-pyran-2-yl)-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.20250706 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1416714-23-2
- Purity/Analytical Methods: >99.0%
1416714-23-2 / 5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-amine
Basic Information
CAS
1416714-23-2
Multi CAS
No
Molecular Formula
C11H13BrN4O
Molecular Weight
297.150000
Exact Mass
296.027270
SMILES
C1CCOC(C1)N2C3=C(C=C(C=N3)Br)C(=N2)N
InChI
InChI=1S/C11H13BrN4O/c12-7-5-8-10(13)15-16(11(8)14-6-7)9-3-1-2-4-17-9/h5-6,9H,1-4H2,(H2,13,15)
InChIKey
VHXFNRQQUOYNIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.48
TPSA
65.96
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
1.9
Consensus LogP
2.19
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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