![CAS 2177257-61-1 4-bromo-2-methyl-2H-pyrazolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177257-61-1.png)
CAS RN: 2177257-61-1
4-bromo-2-methyl-2H-pyrazolo[3,4-c]pyridine
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.20250804 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2177257-61-1
- Purity/Analytical Methods: >99.0%
2177257-61-1 / 4-bromo-2-methylpyrazolo[3,4-c]pyridine
Basic Information
CAS
2177257-61-1
Multi CAS
No
Molecular Formula
C7H6BrN3
Molecular Weight
212.050000
Exact Mass
210.974510
SMILES
CN1C=C2C(=CN=CC2=N1)Br
InChI
InChI=1S/C7H6BrN3/c1-11-4-5-6(8)2-9-3-7(5)10-11/h2-4H,1H3
InChIKey
NHRZUMLQUORGJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
46.21
TPSA
30.71
LogP / Solubility
WLOGP
1.73
MLOGP
1.52
XLogP3
1.2
Consensus LogP
1.48
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
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
No
Synthetic Accessibility
1.5
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