![CAS 1547646-00-3 6-methoxy-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1547646-00-3.gif)
CAS RN: 1547646-00-3
6-methoxy-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
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.20260209 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1547646-00-3
- Purity/Analytical Methods: >99.0%
1547646-00-3 / 6-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
Basic Information
CAS
1547646-00-3
Multi CAS
No
Molecular Formula
C8H7N3O3
Molecular Weight
193.160000
Exact Mass
193.048741
SMILES
COC1=NC2=NNC(=C2C=C1)C(=O)O
InChI
InChI=1S/C8H7N3O3/c1-14-5-3-2-4-6(8(12)13)10-11-7(4)9-5/h2-3H,1H3,(H,12,13)(H,9,10,11)
InChIKey
QLXQGJXBAMYPQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.4
TPSA
88.1
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
1
Consensus LogP
0.75
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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