![CAS 1532793-71-7 6-Bromo-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1532793-71-7.png)
CAS RN: 1532793-71-7
6-Bromo-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250120 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB926852
1532793-71-7 / 6-bromo-1,3-dimethylpyrazolo[5,4-b]pyridine
Basic Information
CAS
1532793-71-7
Multi CAS
No
Molecular Formula
C8H8BrN3
Molecular Weight
226.070000
Exact Mass
224.990160
SMILES
CC1=NN(C2=C1C=CC(=N2)Br)C
InChI
InChI=1S/C8H8BrN3/c1-5-6-3-4-7(9)10-8(6)12(2)11-5/h3-4H,1-2H3
InChIKey
NVOOVUUPBUUBJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
3
Molar refractivity
50.95
TPSA
30.71
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
2.3
Consensus LogP
2.05
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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
No
Synthetic Accessibility
1.5
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6-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine
- CAS RN: 1369232-57-4
- Product Code: LINH927006
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![CAS 1369232-57-4 6-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1369232-57-4.png)
