4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole
TL;DR: 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole (CAS 5537-04-2) is a chemical compound with molecular formula C8H8FN3O3S and molecular weight 245.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Also Known As: DBD-F, 4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole, 7-Fluoro-N,N-dimethylbenzo[c][1,2,5]oxadiazole-4-sulfonamide, 7-fluoro-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide, 4610AF
| Molecular Formula | C8H8FN3O3S |
|---|---|
| Molecular Weight | 245.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.02704 |
| Heavy Atoms | 16 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 5537-04-2 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)F |
| InChIKey | YZWANFXENNWOOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole (CAS 5537-04-2), with molecular formula C8H8FN3O3S and molecular weight 245.03 g/mol. IUPAC: 7-fluoro-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide.
Chemical Property Profile of 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole
Property Insights of 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole 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 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?
The CAS number of 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole is 5537-04-2.
What is the molecular formula of 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?
The molecular formula of 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole is C8H8FN3O3S.
What is the molecular weight of 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?
The molecular weight of 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole is 245.03 g/mol.
Where can I buy 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?
You can request a quote for 4-(N,N-dimethylaminosulfonyl)-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-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.