![CAS 1350653-26-7 5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1350653-26-7.gif)
CAS RN: 1350653-26-7
5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250823 | 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: starshine_CAS1350653-26-7
- Purity/Analytical Methods: >99.0%
1350653-26-7 / 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
Basic Information
CAS
1350653-26-7
Multi CAS
No
Molecular Formula
C14H8F2N4
Molecular Weight
270.240000
Exact Mass
270.071703
SMILES
C1=CC=C(C(=C1)CN2C3=C(C=C(C=N3)F)C(=N2)C#N)F
InChI
InChI=1S/C14H8F2N4/c15-10-5-11-13(6-17)19-20(14(11)18-7-10)8-9-3-1-2-4-12(9)16/h1-5,7H,8H2
InChIKey
GPEUANAWZCBBHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.7
TPSA
54.5
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.7
Consensus LogP
2.55
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501
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