![5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide structure](/static/products/1711/171111-70-9.webp)
5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide
TL;DR: 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide (CAS 171111-70-9) is a chemical compound with molecular formula C6H2F2N2O2 and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-difluoro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 5,6-difluorobenzofuroxan, 5,6-difluoro-benzofuroxan, KPBMUSNYISGMMP-UHFFFAOYSA-, 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide, 5,6-difluoro-3-oxido-2,1,3-benzoxadiazol-3-ium
| Molecular Formula | C6H2F2N2O2 |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.00844 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 171111-70-9 |
|---|---|
| SMILES | C1=C(C(=CC2=[N+](ON=C21)[O-])F)F |
| InChIKey | KPBMUSNYISGMMP-UHFFFAOYSA-N |
Product Overview
5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide (CAS 171111-70-9), with molecular formula C6H2F2N2O2 and molecular weight 172.01 g/mol. IUPAC: 5,6-difluoro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide
Property Insights of 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide. With a topological polar surface area (TPSA) of 51.5 Ų, 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide has 0 hydrogen bond donor(s) and 5 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 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide?
The CAS number of 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide is 171111-70-9.
What is the molecular formula of 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide?
The molecular formula of 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide is C6H2F2N2O2.
What is the molecular weight of 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide?
The molecular weight of 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide is 172.01 g/mol.
Where can I buy 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide?
You can request a quote for 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Difluorobenzo[c][1,2,5]oxadiazole 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.