2,6-Dimethoxyphenyl trifluoromethanesulfonate
TL;DR: 2,6-Dimethoxyphenyl trifluoromethanesulfonate (CAS 60319-07-5) is a chemical compound with molecular formula C9H9F3O5S and molecular weight 286.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethoxyphenyl) trifluoromethanesulfonate
Also Known As: 2,6-Dimethoxyphenyl trifluoromethanesulfonate, (2,6-dimethoxyphenyl) trifluoromethanesulfonate, 2,6-Dimethoxyphenol trifluoromethanesulfonate, 2,6-Dimethoxyphenyl trifluoromethanesulfonate, 97%, trifluoromethanesulfonic acid 2,6-dimethoxyphenyl ester
| Molecular Formula | C9H9F3O5S |
|---|---|
| Molecular Weight | 286.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.01227 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 60319-07-5 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)OS(=O)(=O)C(F)(F)F |
| InChIKey | MMOZMBDXJRPZLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethoxyphenyl trifluoromethanesulfonate (CAS 60319-07-5), with molecular formula C9H9F3O5S and molecular weight 286.01 g/mol. IUPAC: (2,6-dimethoxyphenyl) trifluoromethanesulfonate.
Chemical Property Profile of 2,6-Dimethoxyphenyl trifluoromethanesulfonate
Property Insights of 2,6-Dimethoxyphenyl trifluoromethanesulfonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethoxyphenyl trifluoromethanesulfonate. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethoxyphenyl trifluoromethanesulfonate. Following Lipinski's Rule of Five, 2,6-Dimethoxyphenyl trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 8 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 2,6-Dimethoxyphenyl trifluoromethanesulfonate?
The CAS number of 2,6-Dimethoxyphenyl trifluoromethanesulfonate is 60319-07-5.
What is the molecular formula of 2,6-Dimethoxyphenyl trifluoromethanesulfonate?
The molecular formula of 2,6-Dimethoxyphenyl trifluoromethanesulfonate is C9H9F3O5S.
What is the molecular weight of 2,6-Dimethoxyphenyl trifluoromethanesulfonate?
The molecular weight of 2,6-Dimethoxyphenyl trifluoromethanesulfonate is 286.01 g/mol.
Where can I buy 2,6-Dimethoxyphenyl trifluoromethanesulfonate?
You can request a quote for 2,6-Dimethoxyphenyl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethoxyphenyl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethoxyphenyl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.