1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-
TL;DR: 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro- (CAS 68291-99-6) is a chemical compound with molecular formula C8H7FN2O3S and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide
Also Known As: 5-Fluoro-3-sulfamoylmethyl-1,2-benzisoxazole, 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-, 5-Fluoro-1,2-benzisoxazole-3-methanesulfonamide, (5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide, (5-Fluorobenzo[d]isoxazol-3-yl)methanesulfonamide
| Molecular Formula | C8H7FN2O3S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.01614 |
| Heavy Atoms | 15 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 68291-99-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C(=NO2)CS(=O)(=O)N |
| InChIKey | WORADDHHZSLCQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro- (CAS 68291-99-6), with molecular formula C8H7FN2O3S and molecular weight 230.02 g/mol. IUPAC: (5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide.
Chemical Property Profile of 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-
Property Insights of 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-. Following Lipinski's Rule of Five, 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro- has 1 hydrogen bond donor(s) and 6 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 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-?
The CAS number of 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro- is 68291-99-6.
What is the molecular formula of 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-?
The molecular formula of 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro- is C8H7FN2O3S.
What is the molecular weight of 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-?
The molecular weight of 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro- is 230.02 g/mol.
Where can I buy 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-?
You can request a quote for 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.