![CAS 1245649-96-0 3-BROMO-5-CHLORO-1H-PYRAZOLO[3,4-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1245649-96-0.gif)
CAS RN: 1245649-96-0
3-BROMO-5-CHLORO-1H-PYRAZOLO[3,4-B]PYRIDINE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-028494
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 | Hong Kong | Inquiry |
1245649-96-0 / 3-bromo-5-chloro-2H-pyrazolo[3,4-b]pyridine
Basic Information
CAS
1245649-96-0
Multi CAS
No
Molecular Formula
C6H3BrClN3
Molecular Weight
232.460000
Exact Mass
230.919890
SMILES
C1=C(C=NC2=NNC(=C21)Br)Cl
InChI
InChI=1S/C6H3BrClN3/c7-5-4-1-3(8)2-9-6(4)11-10-5/h1-2H,(H,9,10,11)
InChIKey
YMVUEHXTDWJMIW-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
46.6
TPSA
41.57
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.5
Consensus LogP
2.32
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.45
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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