3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate
TL;DR: 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate (CAS 55809-88-6) is a chemical compound with molecular formula C14H8F6O3S and molecular weight 370.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl] 3-(trifluoromethyl)benzenesulfonate
Also Known As: 3-p-Aethoxyphenyl-2-thiodihydrouracil, 3-(trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate, [3-(trifluoromethyl)phenyl] 3-(trifluoromethyl)benzenesulfonate, [3-(trifluoromethyl)phenyl] 3-(trifluoromethyl)benzenesulfon, 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
| Molecular Formula | C14H8F6O3S |
|---|---|
| Molecular Weight | 370.01 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.00983 |
| Heavy Atoms | 24 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 55809-88-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(F)(F)F |
| InChIKey | LSGSLNMJUTXALV-UHFFFAOYSA-N |
Product Overview
3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate (CAS 55809-88-6), with molecular formula C14H8F6O3S and molecular weight 370.01 g/mol. IUPAC: [3-(trifluoromethyl)phenyl] 3-(trifluoromethyl)benzenesulfonate.
Chemical Property Profile of 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate
Property Insights of 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate
The XLogP value of 4.8 indicates that 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate has 0 hydrogen bond donor(s) and 9 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-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate?
The CAS number of 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate is 55809-88-6.
What is the molecular formula of 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate?
The molecular formula of 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate is C14H8F6O3S.
What is the molecular weight of 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate?
The molecular weight of 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate is 370.01 g/mol.
Where can I buy 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate?
You can request a quote for 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)phenyl 3-(trifluoromethyl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.