5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one
TL;DR: 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one (CAS 52059-64-0) is a chemical compound with molecular formula C8H4FNO2S and molecular weight 196.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-fluorophenyl)-1,3,4-oxathiazol-2-one
Also Known As: 5-(3-fluorophenyl)-1,3,4-oxathiazol-2-one, 5-(3-Fluorophenyl)-2H-1,3,4-oxathiazol-2-one
| Molecular Formula | C8H4FNO2S |
|---|---|
| Molecular Weight | 196.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.99467 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 52059-64-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2=NSC(=O)O2 |
| InChIKey | JNKCXBIQAXXLDO-UHFFFAOYSA-N |
Product Overview
5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one (CAS 52059-64-0), with molecular formula C8H4FNO2S and molecular weight 196.99 g/mol. IUPAC: 5-(3-fluorophenyl)-1,3,4-oxathiazol-2-one.
Chemical Property Profile of 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one
Property Insights of 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one. Following Lipinski's Rule of Five, 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one 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-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one?
The CAS number of 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one is 52059-64-0.
What is the molecular formula of 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one?
The molecular formula of 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one is C8H4FNO2S.
What is the molecular weight of 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one?
The molecular weight of 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one is 196.99 g/mol.
Where can I buy 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one?
You can request a quote for 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Fluorophenyl)-1,3,4-oxathiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.