7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate
TL;DR: 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate (CAS 84806-27-9) is a chemical compound with molecular formula C6H6FN3O4S and molecular weight 235.0063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azane;7-fluoro-2,1,3-benzoxadiazole-4-sulfonic acid
Also Known As: sulphonate, AFSBF, SBD-F, 4-Fluoro-7-sulfobenzofurazan, ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6FN3O4S |
| Molecular Weight | 235.0063 g/mol |
| XLogP | 0.77 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.0063 Da |
| Heavy Atoms | 15 |
| Complexity | 316.0 |
| SMILES | C1=C(C2=NON=C2C(=C1)S(=O)(=O)O)F.N |
| InChIKey | JXLHNMVSKXFWAO-UHFFFAOYSA-N |
Chemical Property Profile of 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate
Property Insights of 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate. Following Lipinski's Rule of Five, 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate?
The CAS number of 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate is 84806-27-9.
What is the molecular formula of 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate?
The molecular formula of 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate is C6H6FN3O4S.
What is the molecular weight of 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate?
The molecular weight of 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate is 235.0063 g/mol.
Where can I buy 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate?
You can request a quote for 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate?
Yes, CoreyChem provides custom synthesis services for 7-Fluorobenzo-2-oxa-1,3-diazole-4-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.