3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide
TL;DR: 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide (CAS 205187-35-5) is a chemical compound with molecular formula C15H11F3O4S and molecular weight 344.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1,1-trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide
Also Known As: 2614W94, 3-(1,1,1-trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide, (rac)-3-(2,2,2-trifluoro-1-methylethoxy)phenoxathiin 10,10-dioxide, 3-[1-(Trifluoromethyl)ethoxy]phenoxathilin-10,10-dioxide, 3-((1,1,1-Trifluoropropan-2-yl)oxy)phenoxathiine 10,10-dioxide
| Molecular Formula | C15H11F3O4S |
|---|---|
| Molecular Weight | 344.03 g/mol |
| LogP | 3.9547 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.03302 |
| Heavy Atoms | 23 |
| Complexity | 859.266 |
Chemical Identifiers
| CAS Number | 205187-35-5 |
|---|---|
| SMILES | CC(C(F)(F)F)OC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3O2 |
Product Overview
3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide (CAS 205187-35-5), with molecular formula C15H11F3O4S and molecular weight 344.03 g/mol. IUPAC: 3-(1,1,1-trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide.
Chemical Property Profile of 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide
Property Insights of 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide
The XLogP value of 3.9547 indicates that 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide 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 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide?
The CAS number of 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide is 205187-35-5.
What is the molecular formula of 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide?
The molecular formula of 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide is C15H11F3O4S.
What is the molecular weight of 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide?
The molecular weight of 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide is 344.03 g/mol.
Where can I buy 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide?
You can request a quote for 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1,1-Trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.