![2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate structure](/static/products/3258/325817-44-5.webp)
2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate
TL;DR: 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate (CAS 325817-44-5) is a chemical compound with molecular formula C16H9F3O4S and molecular weight 354.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] acetate
Also Known As: ChemDiv3_002514, 2-oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate, F0862-0780, [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] acetate, 2-oxo-7-[3-(trifluoromethyl)phenyl]-2H-1,3-benzoxathiol-5-yl acetate
| Molecular Formula | C16H9F3O4S |
|---|---|
| Molecular Weight | 354.02 g/mol |
| LogP | 4.4656 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.01736 |
| Heavy Atoms | 24 |
| Complexity | 984.8866 |
Chemical Identifiers
| CAS Number | 325817-44-5 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C2C(=C1)SC(=O)O2)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate (CAS 325817-44-5), with molecular formula C16H9F3O4S and molecular weight 354.02 g/mol. IUPAC: [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] acetate.
Chemical Property Profile of 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate
Property Insights of 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate
The XLogP value of 4.4656 indicates that 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate 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 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate?
The CAS number of 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate is 325817-44-5.
What is the molecular formula of 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate?
The molecular formula of 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate is C16H9F3O4S.
What is the molecular weight of 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate?
The molecular weight of 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate is 354.02 g/mol.
Where can I buy 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate?
You can request a quote for 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.