![CAS 1034769-88-4 5-BroMo-4-chloro-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1034769-88-4.gif)
CAS RN: 1034769-88-4
5-BroMo-4-chloro-1H-pyrazolo[3,4-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.20260104 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-005018
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 | Hong Kong | Inquiry |
1034769-88-4 / 5-bromo-4-chloro-1H-pyrazolo[3,4-b]pyridine
5-Bromo-4-chloro-1H-pyrazolo[3,4-b]pyridine | MFCD18837769 | SCHEMBL2113624
Basic Information
CAS
1034769-88-4
Multi CAS
No
Molecular Formula
C6H3BrClN3
Molecular Weight
232.460000
Exact Mass
230.919890
SMILES
C1=C(C(=C2C=NNC2=N1)Cl)Br
InChI
InChI=1S/C6H3BrClN3/c7-4-2-9-6-3(5(4)8)1-10-11-6/h1-2H,(H,9,10,11)
InChIKey
LFIOULNHNXMRCP-UHFFFAOYSA-N
Synonyms
5-Bromo-4-chloro-1H-pyrazolo[3,4-b]pyridine
MFCD18837769
SCHEMBL2113624
DTXSID40657916
SB10468
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
2.1
Consensus LogP
2.19
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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