![tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt structure](/static/products/1808/180801-55-2.webp)
tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt
TL;DR: tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt (CAS 180801-55-2) is a chemical compound with molecular formula C25H25F3O6S2 and molecular weight 542.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[4-[diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl]phenoxy]acetate
Also Known As: tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt, tert-butyl 2-[4-[diphenyl(trifluoromethylsulfonyloxy)-, tert-butyl 2-[4-[diphenyl(trifluoromethylsulfonyloxy)-lambda4-sulfanyl]phenoxy]acetate, tert-butyl 2-{4-[diphenyl(trifluoromethanesulfonyloxy)-$l^{4}-sulfanyl]phenoxy}acetate
| Molecular Formula | C25H25F3O6S2 |
|---|---|
| Molecular Weight | 542.10 g/mol |
| LogP | 6.47 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.1045 |
| Heavy Atoms | 36 |
| Complexity | 1231.8699 |
Chemical Identifiers
| CAS Number | 180801-55-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC=C(C=C1)S(C2=CC=CC=C2)(C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F |
Product Overview
tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt (CAS 180801-55-2), with molecular formula C25H25F3O6S2 and molecular weight 542.10 g/mol. IUPAC: tert-butyl 2-[4-[diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl]phenoxy]acetate.
Chemical Property Profile of tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt
Property Insights of tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt
The XLogP value of 6.47 indicates that tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt. Following Lipinski's Rule of Five, tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt?
The CAS number of tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt is 180801-55-2.
What is the molecular formula of tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt?
The molecular formula of tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt is C25H25F3O6S2.
What is the molecular weight of tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt?
The molecular weight of tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt is 542.10 g/mol.
Where can I buy tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt?
You can request a quote for tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-[4-(diphenylsulphonium)phenoxy] acetate, triflate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.