![CAS 2068065-16-5 6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2068065-16-5.png)
CAS RN: 2068065-16-5
6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250805 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-097395
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2068065-16-5 / 6-bromo-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
Basic Information
CAS
2068065-16-5
Multi CAS
No
Molecular Formula
C8H4BrN3O
Molecular Weight
238.040000
Exact Mass
236.953770
SMILES
C1=C(C2=C(C=NN2C=C1Br)C#N)O
InChI
InChI=1S/C8H4BrN3O/c9-6-1-7(13)8-5(2-10)3-11-12(8)4-6/h1,3-4,13H
InChIKey
IFUVDUFAFVWZOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.27
TPSA
61.32
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
1.1
Consensus LogP
1.42
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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