![CAS 1220165-54-7 4-broMo-1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22638689.gif)
CAS RN: 1220165-54-7
4-broMo-1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260305 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1220165-54-7
- Purity/Analytical Methods: >99.0%
1220165-54-7 / 4-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine
Basic Information
CAS
1220165-54-7
Multi CAS
No
Molecular Formula
C12H7BrFN3
Molecular Weight
292.110000
Exact Mass
290.980740
SMILES
C1=CC(=CC=C1N2C3=CN=CC(=C3C=N2)Br)F
InChI
InChI=1S/C12H7BrFN3/c13-11-6-15-7-12-10(11)5-16-17(12)9-3-1-8(14)2-4-9/h1-7H
InChIKey
MLBUKBRLBUVETP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.52
TPSA
30.71
LogP / Solubility
WLOGP
3.32
MLOGP
2.93
XLogP3
3
Consensus LogP
3.08
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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)
-2.14
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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