1-Cyclohexenyl trifluoromethanesulfonate
TL;DR: 1-Cyclohexenyl trifluoromethanesulfonate (CAS 28075-50-5) is a chemical compound with molecular formula C7H9F3O3S and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexen-1-yl trifluoromethanesulfonate
Also Known As: 1-Cyclohexenyl trifluoromethanesulfonate, cyclohexenyl triflate, cyclohex-1-en-1-yl trifluoromethanesulfonate, cyclohexenol triflate, cyclohexen-1-yl trifluoromethanesulfonate
| Molecular Formula | C7H9F3O3S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.02245 |
| Heavy Atoms | 14 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 28075-50-5 |
|---|---|
| SMILES | C1CCC(=CC1)OS(=O)(=O)C(F)(F)F |
| InChIKey | WVSCRRLWRRANJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclohexenyl trifluoromethanesulfonate (CAS 28075-50-5), with molecular formula C7H9F3O3S and molecular weight 230.02 g/mol. IUPAC: cyclohexen-1-yl trifluoromethanesulfonate.
Chemical Property Profile of 1-Cyclohexenyl trifluoromethanesulfonate
Property Insights of 1-Cyclohexenyl trifluoromethanesulfonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclohexenyl trifluoromethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 1-Cyclohexenyl trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexenyl 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 1-Cyclohexenyl trifluoromethanesulfonate?
The CAS number of 1-Cyclohexenyl trifluoromethanesulfonate is 28075-50-5.
What is the molecular formula of 1-Cyclohexenyl trifluoromethanesulfonate?
The molecular formula of 1-Cyclohexenyl trifluoromethanesulfonate is C7H9F3O3S.
What is the molecular weight of 1-Cyclohexenyl trifluoromethanesulfonate?
The molecular weight of 1-Cyclohexenyl trifluoromethanesulfonate is 230.02 g/mol.
Where can I buy 1-Cyclohexenyl trifluoromethanesulfonate?
You can request a quote for 1-Cyclohexenyl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexenyl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexenyl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.