![CAS 2067257-98-9 6-chloro-2,3-dimethyl-2H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2067257-98-9.png)
CAS RN: 2067257-98-9
6-chloro-2,3-dimethyl-2H-pyrazolo[3,4-b]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.20250925 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2067257-98-9
- Purity/Analytical Methods: >99.0%
2067257-98-9 / 6-chloro-2,3-dimethylpyrazolo[3,4-b]pyridine
Basic Information
CAS
2067257-98-9
Multi CAS
No
Molecular Formula
C8H8ClN3
Molecular Weight
181.620000
Exact Mass
181.040675
SMILES
CC1=C2C=CC(=NC2=NN1C)Cl
InChI
InChI=1S/C8H8ClN3/c1-5-6-3-4-7(9)10-8(6)11-12(5)2/h3-4H,1-2H3
InChIKey
QACCPQUIJPPABB-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
48.26
TPSA
30.71
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
2.2
Consensus LogP
1.94
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.46
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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