Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate
TL;DR: Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate (CAS 17763-71-2) is a chemical compound with molecular formula C9H7F3O5S and molecular weight 284.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(trifluoromethylsulfonyloxy)benzoate
Also Known As: ghl.PD_Mitscher_leg0.1327, methyl 4-(trifluoromethylsulfonyloxy)benzoate, Methyl 4-trifluoromethanesulfonyloxybenzoate, methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate, Methyl 4-[[(trifluoromethyl)sulfonyl]oxy]benzoate
| Molecular Formula | C9H7F3O5S |
|---|---|
| Molecular Weight | 284.00 g/mol |
| LogP | 1.7016 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.99664 |
| Heavy Atoms | 18 |
| Complexity | 532.3167 |
Chemical Identifiers
| CAS Number | 17763-71-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F |
Product Overview
Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate (CAS 17763-71-2), with molecular formula C9H7F3O5S and molecular weight 284.00 g/mol. IUPAC: methyl 4-(trifluoromethylsulfonyloxy)benzoate.
Chemical Property Profile of Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate
Property Insights of Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate
The XLogP value of 1.7016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate. Following Lipinski's Rule of Five, Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate 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 4-(((trifluoromethyl)sulfonyl)oxy)benzoate?
The CAS number of Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate is 17763-71-2.
What is the molecular formula of Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate?
The molecular formula of Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate is C9H7F3O5S.
What is the molecular weight of Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate?
The molecular weight of Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate is 284.00 g/mol.
Where can I buy Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate?
You can request a quote for Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(((trifluoromethyl)sulfonyl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.