![CAS 1416713-71-7 5-Bromo-1-(Tetrahydro-2H-Pyran-2-Yl)-1H-Pyrazolo[3,4-C]Pyridine(WXC03671) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416713-71-7.gif)
CAS RN: 1416713-71-7
5-Bromo-1-(Tetrahydro-2H-Pyran-2-Yl)-1H-Pyrazolo[3,4-C]Pyridine(WXC03671)
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.20260326 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1416713-71-7
- Purity/Analytical Methods: >99.0%
1416713-71-7 / 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
Basic Information
CAS
1416713-71-7
Multi CAS
No
Molecular Formula
C11H12BrN3O
Molecular Weight
282.140000
Exact Mass
281.016370
SMILES
C1CCOC(C1)N2C3=CN=C(C=C3C=N2)Br
InChI
InChI=1S/C11H12BrN3O/c12-10-5-8-6-14-15(9(8)7-13-10)11-3-1-2-4-16-11/h5-7,11H,1-4H2
InChIKey
KMGZUXOSYQOTRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
64.07
TPSA
39.94
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
2.3
Consensus LogP
2.58
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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