2,2,2-Trifluoroethyl phenylmethanesulfonate
TL;DR: 2,2,2-Trifluoroethyl phenylmethanesulfonate (CAS 200876-85-3) is a chemical compound with molecular formula C9H9F3O3S and molecular weight 254.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl phenylmethanesulfonate
Also Known As: 2,2,2-trifluoroethyl phenylmethanesulfonate, 2,2,2-Trifluoroethyl benzenemethanesulfonate, 2,2,2-trifluoroethoxysulfonylmethylbenzene, Benzenemethanesulfonic acid, 2,2,2-trifluoroethyl ester
| Molecular Formula | C9H9F3O3S |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | 2.0953 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.02245 |
| Heavy Atoms | 16 |
| Complexity | 425.06247 |
Chemical Identifiers
| CAS Number | 200876-85-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)OCC(F)(F)F |
Product Overview
2,2,2-Trifluoroethyl phenylmethanesulfonate (CAS 200876-85-3), with molecular formula C9H9F3O3S and molecular weight 254.02 g/mol. IUPAC: 2,2,2-trifluoroethyl phenylmethanesulfonate.
Chemical Property Profile of 2,2,2-Trifluoroethyl phenylmethanesulfonate
Property Insights of 2,2,2-Trifluoroethyl phenylmethanesulfonate
The XLogP value of 2.0953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroethyl phenylmethanesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, 2,2,2-Trifluoroethyl phenylmethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl phenylmethanesulfonate has 0 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 2,2,2-Trifluoroethyl phenylmethanesulfonate?
The CAS number of 2,2,2-Trifluoroethyl phenylmethanesulfonate is 200876-85-3.
What is the molecular formula of 2,2,2-Trifluoroethyl phenylmethanesulfonate?
The molecular formula of 2,2,2-Trifluoroethyl phenylmethanesulfonate is C9H9F3O3S.
What is the molecular weight of 2,2,2-Trifluoroethyl phenylmethanesulfonate?
The molecular weight of 2,2,2-Trifluoroethyl phenylmethanesulfonate is 254.02 g/mol.
Where can I buy 2,2,2-Trifluoroethyl phenylmethanesulfonate?
You can request a quote for 2,2,2-Trifluoroethyl phenylmethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl phenylmethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl phenylmethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.