Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate
TL;DR: Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate (CAS 122948-57-6) is a chemical compound with molecular formula C10H13F3O5S and molecular weight 302.04358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylate
Also Known As: Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate, ethyl 4-(trifluoromethylsulfonyloxy)cyclohex-3-enecarboxylate, 6-Chloro-indole-3-carboxylic acid, 4425AA, Ethyl 4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylate
Technical Specifications
| Molecular Formula | C10H13F3O5S |
| Molecular Weight | 302.04358 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.04358 Da |
| Heavy Atoms | 19 |
| Complexity | 461.0 |
| SMILES | CCOC(=O)C1CCC(=CC1)OS(=O)(=O)C(F)(F)F |
| InChIKey | FKPYEDFRKMRJBL-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate
Property Insights of Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate 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
What is the CAS number of Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate?
The CAS number of Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate is 122948-57-6.
What is the molecular formula of Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate?
The molecular formula of Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate is C10H13F3O5S.
What is the molecular weight of Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate?
The molecular weight of Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate is 302.04358 g/mol.
Where can I buy Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate?
You can request a quote for Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(((trifluoromethyl)sulfonyl)oxy)cyclohex-3-enecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.