![CAS 864872-31-1 3-Bromoisoxazolo[5,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864872-31-1.gif)
CAS RN: 864872-31-1
3-Bromoisoxazolo[5,4-b]pyridine
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.20250222 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS864872-31-1
- Purity/Analytical Methods: >99.0%
864872-31-1 / 3-bromo-[1,2]oxazolo[5,4-b]pyridine
Basic Information
CAS
864872-31-1
Multi CAS
No
Molecular Formula
BC6H3ORn2
Molecular Weight
199.000000
Exact Mass
197.942880
InChI
InChI=1S/C6H3BrN2O/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H
InChIKey
BMMIPTCIKNLMOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
39.5
TPSA
38.92
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
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)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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