Cycloocten-1-yl trifluoromethanesulfonate
TL;DR: Cycloocten-1-yl trifluoromethanesulfonate (CAS 28075-35-6) is a chemical compound with molecular formula C9H13F3O3S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cycloocten-1-yl trifluoromethanesulfonate
Also Known As: cycloocten-1-yl trifluoromethanesulfonate, [(1E)-cycloocten-1-yl] trifluoromethanesulfonate, Methanesulfonic acid,1,1,1-trifluoro-, 1-cycloocten-1-yl ester
| Molecular Formula | C9H13F3O3S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.05374 |
| Heavy Atoms | 16 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 28075-35-6 |
|---|---|
| SMILES | C1CCCC(=CCC1)OS(=O)(=O)C(F)(F)F |
| InChIKey | YLZNQFXAEQJJNR-UHFFFAOYSA-N |
Product Overview
Cycloocten-1-yl trifluoromethanesulfonate (CAS 28075-35-6), with molecular formula C9H13F3O3S and molecular weight 258.05 g/mol. IUPAC: cycloocten-1-yl trifluoromethanesulfonate.
Chemical Property Profile of Cycloocten-1-yl trifluoromethanesulfonate
Property Insights of Cycloocten-1-yl trifluoromethanesulfonate
The XLogP value of 3.8 indicates that Cycloocten-1-yl trifluoromethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Cycloocten-1-yl trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloocten-1-yl trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 6 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 Cycloocten-1-yl trifluoromethanesulfonate?
The CAS number of Cycloocten-1-yl trifluoromethanesulfonate is 28075-35-6.
What is the molecular formula of Cycloocten-1-yl trifluoromethanesulfonate?
The molecular formula of Cycloocten-1-yl trifluoromethanesulfonate is C9H13F3O3S.
What is the molecular weight of Cycloocten-1-yl trifluoromethanesulfonate?
The molecular weight of Cycloocten-1-yl trifluoromethanesulfonate is 258.05 g/mol.
Where can I buy Cycloocten-1-yl trifluoromethanesulfonate?
You can request a quote for Cycloocten-1-yl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloocten-1-yl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Cycloocten-1-yl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.