![6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide structure](/static/products/447/447429-54-1.png)
6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide
TL;DR: 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide (CAS 447429-54-1) is a chemical compound with molecular formula C5H2BrN3O2 and molecular weight 214.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-3-ium
Also Known As: 6-bromo-1,2,5-oxadiazolo[3,4-b]pyridin-3-ol, 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide, 6-bromo-[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide, 1,2,5-Oxadiazolo[4,3-b]pyridine, 6-bromo-, 3-oxide, 6-bromo-3-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-3-ium
| Molecular Formula | C5H2BrN3O2 |
|---|---|
| Molecular Weight | 214.93 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.93304 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 447429-54-1 |
|---|---|
| SMILES | C1=C(C=NC2=[N+](ON=C21)[O-])Br |
| InChIKey | QHHVJTIFPRPZFS-UHFFFAOYSA-N |
Product Overview
6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide (CAS 447429-54-1), with molecular formula C5H2BrN3O2 and molecular weight 214.93 g/mol. IUPAC: 6-bromo-3-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-3-ium.
Chemical Property Profile of 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide
Property Insights of 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide. Following Lipinski's Rule of Five, 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide?
The CAS number of 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide is 447429-54-1.
What is the molecular formula of 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide?
The molecular formula of 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide is C5H2BrN3O2.
What is the molecular weight of 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide?
The molecular weight of 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide is 214.93 g/mol.
Where can I buy 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide?
You can request a quote for 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.