![6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate structure](/static/products/1308/13087-13-3.webp)
6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate
TL;DR: 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate (CAS 13087-13-3) is a chemical compound with molecular formula C12H6N4O5 and molecular weight 286.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxido-5-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-3-ium
Also Known As: 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate, 6,6 -Oxybis(benzofurazane 1-oxide), 1-oxido-6-(3-oxidobenzofurazan-3-ium-5-yl)oxy-benzofurazan-1-ium, 3-oxido-5-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-3-ium, 1-oxido-6-[(1-oxido-[2,1,3]benzoxadiazol-1-ium-6-yl)oxy]-[2,1,3]benzoxadiazol-1-ium
| Molecular Formula | C12H6N4O5 |
|---|---|
| Molecular Weight | 286.03 g/mol |
| LogP | 1.0281 |
| Topological Polar Surface Area | 115.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.0338 |
| Heavy Atoms | 21 |
| Complexity | 882.75946 |
Chemical Identifiers
| CAS Number | 13087-13-3 |
|---|---|
| SMILES | C1=CC2=NO[N+](=C2C=C1OC3=CC4=[N+](ON=C4C=C3)[O-])[O-] |
Product Overview
6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate (CAS 13087-13-3), with molecular formula C12H6N4O5 and molecular weight 286.03 g/mol. IUPAC: 3-oxido-5-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate
Property Insights of 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate
The XLogP value of 1.0281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate. The TPSA of 115.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate. Following Lipinski's Rule of Five, 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate has 0 hydrogen bond donor(s) and 7 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-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate?
The CAS number of 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate is 13087-13-3.
What is the molecular formula of 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate?
The molecular formula of 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate is C12H6N4O5.
What is the molecular weight of 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate?
The molecular weight of 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate is 286.03 g/mol.
Where can I buy 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate?
You can request a quote for 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 6-[(3-Oxido-2,1,3-benzoxadiazol-3-ium-5-yl)oxy]-2,1,3-benzoxadiazol-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.