Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
TL;DR: Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1) (CAS 80518-92-9) is a chemical compound with molecular formula C22H28O6S2 and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyloxyethyl-methyl-(oxolan-2-ylmethyl)sulfanium;4-methylbenzenesulfonate
Also Known As: Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1), 2-benzoyloxyethyl-methyl-(oxolan-2-ylmethyl)sulfanium; 4-methylbenzenesulfonate, [2-(Benzoyloxy)ethyl](methyl)[(oxolan-2-yl)methyl]sulfanium 4-methylbenzene-1-sulfonate, RefChem:382598
| Molecular Formula | C22H28O6S2 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 3.16962 |
| Topological Polar Surface Area | 92.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.13272 |
| Heavy Atoms | 30 |
| Complexity | 875.6036 |
Chemical Identifiers
| CAS Number | 80518-92-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CCOC(=O)C1=CC=CC=C1)CC2CCCO2 |
Product Overview
Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1) (CAS 80518-92-9), with molecular formula C22H28O6S2 and molecular weight 452.13 g/mol. IUPAC: 2-benzoyloxyethyl-methyl-(oxolan-2-ylmethyl)sulfanium;4-methylbenzenesulfonate.
Chemical Property Profile of Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
Property Insights of Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
The XLogP value of 3.16962 indicates that Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1). Following Lipinski's Rule of Five, Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1) 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 Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)?
The CAS number of Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1) is 80518-92-9.
What is the molecular formula of Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)?
The molecular formula of Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1) is C22H28O6S2.
What is the molecular weight of Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)?
The molecular weight of Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1) is 452.13 g/mol.
Where can I buy Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)?
You can request a quote for Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.