![CAS 1310680-12-6 3,5-dichloro-1H-pyrazolo[4,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1310680-12-6.gif)
CAS RN: 1310680-12-6
3,5-dichloro-1H-pyrazolo[4,3-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.20250916 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1310680-12-6
- Purity/Analytical Methods: >99.0%
1310680-12-6 / 3,5-dichloro-2H-pyrazolo[4,3-b]pyridine
Basic Information
CAS
1310680-12-6
Multi CAS
No
Molecular Formula
C6H3Cl2N3
Molecular Weight
188.010000
Exact Mass
186.970403
SMILES
C1=CC(=NC2=C(NN=C21)Cl)Cl
InChI
InChI=1S/C6H3Cl2N3/c7-4-2-1-3-5(9-4)6(8)11-10-3/h1-2H,(H,10,11)
InChIKey
QEJQTCFSLYQMJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.91
TPSA
41.57
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.5
Consensus LogP
2.25
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.26
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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