5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one
TL;DR: 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one (CAS 52059-62-8) is a chemical compound with molecular formula C9H7NO3S and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methoxyphenyl)-1,3,4-oxathiazol-2-one
Also Known As: 5-(3-methoxyphenyl)-1,3,4-oxathiazol-2-one, 5-(3-Methoxyphenyl)-2H-1,3,4-oxathiazol-2-one
| Molecular Formula | C9H7NO3S |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.01466 |
| Heavy Atoms | 14 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 52059-62-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NSC(=O)O2 |
| InChIKey | WJLUBQGCNMULCT-UHFFFAOYSA-N |
Product Overview
5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one (CAS 52059-62-8), with molecular formula C9H7NO3S and molecular weight 209.01 g/mol. IUPAC: 5-(3-methoxyphenyl)-1,3,4-oxathiazol-2-one.
Chemical Property Profile of 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one
Property Insights of 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one. Following Lipinski's Rule of Five, 5-(3-Methoxyphenyl)-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-Methoxyphenyl)-1,3,4-oxathiazol-2-one?
The CAS number of 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one is 52059-62-8.
What is the molecular formula of 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one?
The molecular formula of 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one is C9H7NO3S.
What is the molecular weight of 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one?
The molecular weight of 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one is 209.01 g/mol.
Where can I buy 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one?
You can request a quote for 5-(3-Methoxyphenyl)-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-Methoxyphenyl)-1,3,4-oxathiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methoxyphenyl)-1,3,4-oxathiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.