![CAS 1256794-28-1 4,6-dichloro-1H-pyrazolo[4,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256794-28-1.gif)
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 5g, 1g, 10g
- Available purity: >98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >98% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 5 In Stock | Shanghai | Inquiry |
| 1g | >98% | 4 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 4 In Stock | Hong Kong | Inquiry |
1256794-28-1 / 4,6-dichloro-1H-pyrazolo[4,3-c]pyridine
Basic Information
CAS
1256794-28-1
Multi CAS
No
Molecular Formula
C6H3Cl2N3
Molecular Weight
188.010000
Exact Mass
186.970403
SMILES
C1=C2C(=C(N=C1Cl)Cl)C=NN2
InChI
InChI=1S/C6H3Cl2N3/c7-5-1-4-3(2-9-11-4)6(8)10-5/h1-2H,(H,9,11)
InChIKey
ANKNVJSQPOPDLR-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
2.4
Consensus LogP
2.22
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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