5-Phenyl-1,3,4-oxathiazol-2-one
TL;DR: 5-Phenyl-1,3,4-oxathiazol-2-one (CAS 5852-49-3) is a chemical compound with molecular formula C8H5NO2S and molecular weight 179.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-1,3,4-oxathiazol-2-one
Also Known As: 5-phenyl-1,3,4-oxathiazol-2-one, TRIMETHYLSILYLBUTYRATE, 5-Phenyl-[1,3,4]oxathiazol-2-one, 5-phenyl-2H-1,3,4-oxathiazol-2-one, 5-phenyl-1,3,4 -oxathiazol-2-one
| Molecular Formula | C8H5NO2S |
|---|---|
| Molecular Weight | 179.00 g/mol |
| LogP | 1.7633 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0041 |
| Heavy Atoms | 12 |
| Complexity | 417.87784 |
Chemical Identifiers
| CAS Number | 5852-49-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NSC(=O)O2 |
Product Overview
5-Phenyl-1,3,4-oxathiazol-2-one (CAS 5852-49-3), with molecular formula C8H5NO2S and molecular weight 179.00 g/mol. IUPAC: 5-phenyl-1,3,4-oxathiazol-2-one.
Chemical Property Profile of 5-Phenyl-1,3,4-oxathiazol-2-one
Property Insights of 5-Phenyl-1,3,4-oxathiazol-2-one
The XLogP value of 1.7633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1,3,4-oxathiazol-2-one. With a topological polar surface area (TPSA) of 43.1 Ų, 5-Phenyl-1,3,4-oxathiazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-1,3,4-oxathiazol-2-one has 0 hydrogen bond donor(s) and 4 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-Phenyl-1,3,4-oxathiazol-2-one?
The CAS number of 5-Phenyl-1,3,4-oxathiazol-2-one is 5852-49-3.
What is the molecular formula of 5-Phenyl-1,3,4-oxathiazol-2-one?
The molecular formula of 5-Phenyl-1,3,4-oxathiazol-2-one is C8H5NO2S.
What is the molecular weight of 5-Phenyl-1,3,4-oxathiazol-2-one?
The molecular weight of 5-Phenyl-1,3,4-oxathiazol-2-one is 179.00 g/mol.
Where can I buy 5-Phenyl-1,3,4-oxathiazol-2-one?
You can request a quote for 5-Phenyl-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-Phenyl-1,3,4-oxathiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1,3,4-oxathiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.