![CAS 1956379-02-4 5,7-DIBROMO-1H-PYRAZOLO[4,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1956379-02-4.gif)
CAS RN: 1956379-02-4
5,7-DIBROMO-1H-PYRAZOLO[4,3-B]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.20250317 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1956379-02-4
- Purity/Analytical Methods: >99.0%
1956379-02-4 / 5,7-dibromo-1H-pyrazolo[4,5-b]pyridine
Basic Information
CAS
1956379-02-4
Multi CAS
No
Molecular Formula
C6H3Br2N3
Molecular Weight
276.920000
Exact Mass
276.867320
SMILES
C1=C(C2=C(C=NN2)N=C1Br)Br
InChI
InChI=1S/C6H3Br2N3/c7-3-1-5(8)10-4-2-9-11-6(3)4/h1-2H,(H,9,11)
InChIKey
PBUSADIXYHJUTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.29
TPSA
41.57
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.3
Consensus LogP
2.32
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
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
1.5
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