CAS RN: 166196-54-9
4-(4-bromo-1H-pyrazol-3-yl)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.20250505 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-072564
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
166196-54-9 / 4-(4-bromo-1H-pyrazol-5-yl)pyridine
Basic Information
CAS
166196-54-9
Multi CAS
No
Molecular Formula
C8H6BrN3
Molecular Weight
224.060000
Exact Mass
222.974510
SMILES
C1=CN=CC=C1C2=C(C=NN2)Br
InChI
InChI=1S/C8H6BrN3/c9-7-5-11-12-8(7)6-1-3-10-4-2-6/h1-5H,(H,11,12)
InChIKey
LKKNQJJSEMQTHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.52
TPSA
41.57
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
1.5
Consensus LogP
1.9
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
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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