4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole
TL;DR: 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole (CAS 91366-65-3) is a chemical compound with molecular formula C6H4FN3O3S and molecular weight 217.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide
Also Known As: ABD-F, 4-(aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole, 7-Fluoro-2,1,3-benzoxadiazole-4-sulfonamide, 7-Fluorobenzo[c][1,2,5]oxadiazole-4-sulfonamide, 4-Fluoro-7-sulfamoylbenzofurazan
| Molecular Formula | C6H4FN3O3S |
|---|---|
| Molecular Weight | 217.00 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.99574 |
| Heavy Atoms | 14 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 91366-65-3 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1)S(=O)(=O)N)F |
| InChIKey | XROXHZMRDABMHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole (CAS 91366-65-3), with molecular formula C6H4FN3O3S and molecular weight 217.00 g/mol. IUPAC: 7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide.
Chemical Property Profile of 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole
Property Insights of 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole
The XLogP value of -0.2 indicates that 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole has 1 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 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?
The CAS number of 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole is 91366-65-3.
What is the molecular formula of 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?
The molecular formula of 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole is C6H4FN3O3S.
What is the molecular weight of 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?
The molecular weight of 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole is 217.00 g/mol.
Where can I buy 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?
You can request a quote for 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.