![CAS 1516833-31-0 1,6-Dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1516833-31-0.gif)
CAS RN: 1516833-31-0
1,6-Dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbaldehyde
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.20250709 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1516833-31-0
- Purity/Analytical Methods: >99.0%
1516833-31-0 / 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carbaldehyde
Basic Information
CAS
1516833-31-0
Multi CAS
No
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
SMILES
CC1=CC(=C2C=NN(C2=N1)C)C=O
InChI
InChI=1S/C9H9N3O/c1-6-3-7(5-13)8-4-10-12(2)9(8)11-6/h3-5H,1-2H3
InChIKey
HJTPTRBRPJZZKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
48.63
TPSA
47.78
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
0.7
Consensus LogP
0.92
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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