Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate
TL;DR: Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate (CAS 136384-96-8) is a chemical compound with molecular formula C6H7F3O5S and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate
Also Known As: Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate, Methyl 3-(((trifluoromethyl)sulfonyl)oxy)but-2-enoate, Methyl 3-(trifluoromethylsulfonyloxy) crotonate, Methyl 3-(trifluoromethylsulfonyloxy)crotonate, Methyl 3-[(trifluoromethanesulfonyl)oxy]but-2-enoate
| Molecular Formula | C6H7F3O5S |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 0.9294 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.99663 |
| Heavy Atoms | 15 |
| Complexity | 366.71884 |
Chemical Identifiers
| CAS Number | 136384-96-8 |
|---|---|
| SMILES | CC(=CC(=O)OC)OS(=O)(=O)C(F)(F)F |
Product Overview
Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate (CAS 136384-96-8), with molecular formula C6H7F3O5S and molecular weight 248.00 g/mol. IUPAC: methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate.
Chemical Property Profile of Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate
Property Insights of Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate
The XLogP value of 0.9294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate. Following Lipinski's Rule of Five, Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate has 0 hydrogen bond donor(s) and 5 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 Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate?
The CAS number of Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate is 136384-96-8.
What is the molecular formula of Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate?
The molecular formula of Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate is C6H7F3O5S.
What is the molecular weight of Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate?
The molecular weight of Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate is 248.00 g/mol.
Where can I buy Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate?
You can request a quote for Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.