3,5-Bis(trifluoromethyl)phenylsulfonylethanol
TL;DR: 3,5-Bis(trifluoromethyl)phenylsulfonylethanol (CAS 450409-87-7) is a chemical compound with molecular formula C10H8F6O3S and molecular weight 322.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol
Also Known As: 3,5-Bis(trifluoromethyl)phenylsulfonylethanol, 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol, J1.726.764G, 3,5-bis-(Trifluoromethyl)phenylsulfonylethanol, 2-[3,5-Bis(trifluoromethyl)phenylsulfonyl]ethanol
| Molecular Formula | C10H8F6O3S |
|---|---|
| Molecular Weight | 322.01 g/mol |
| LogP | 2.4902 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.00983 |
| Heavy Atoms | 20 |
| Complexity | 555.74097 |
Chemical Identifiers
| CAS Number | 450409-87-7 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)CCO)C(F)(F)F |
Product Overview
3,5-Bis(trifluoromethyl)phenylsulfonylethanol (CAS 450409-87-7), with molecular formula C10H8F6O3S and molecular weight 322.01 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)phenylsulfonylethanol
Property Insights of 3,5-Bis(trifluoromethyl)phenylsulfonylethanol
The XLogP value of 2.4902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(trifluoromethyl)phenylsulfonylethanol. With a topological polar surface area (TPSA) of 54.37 Ų, 3,5-Bis(trifluoromethyl)phenylsulfonylethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)phenylsulfonylethanol has 1 hydrogen bond donor(s) and 3 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 3,5-Bis(trifluoromethyl)phenylsulfonylethanol?
The CAS number of 3,5-Bis(trifluoromethyl)phenylsulfonylethanol is 450409-87-7.
What is the molecular formula of 3,5-Bis(trifluoromethyl)phenylsulfonylethanol?
The molecular formula of 3,5-Bis(trifluoromethyl)phenylsulfonylethanol is C10H8F6O3S.
What is the molecular weight of 3,5-Bis(trifluoromethyl)phenylsulfonylethanol?
The molecular weight of 3,5-Bis(trifluoromethyl)phenylsulfonylethanol is 322.01 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)phenylsulfonylethanol?
You can request a quote for 3,5-Bis(trifluoromethyl)phenylsulfonylethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethyl)phenylsulfonylethanol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)phenylsulfonylethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.