Phenethyl tosylate
TL;DR: Phenethyl tosylate (CAS 4455-09-8) is a chemical compound with molecular formula C15H16O3S and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-methylbenzenesulfonate
Also Known As: 2-Phenylethyl 4-methylbenzenesulfonate, phenethyl 4-methylbenzenesulfonate, PHENETHYL TOSYLATE, p-Toluenesulfonic acid phenethyl ester, 2-phenylethyl tosylate
| Molecular Formula | C15H16O3S |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.082 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 4455-09-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2 |
| InChIKey | CVPPUZPZPFOFPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl tosylate (CAS 4455-09-8), with molecular formula C15H16O3S and molecular weight 276.08 g/mol. IUPAC: 2-phenylethyl 4-methylbenzenesulfonate.
Chemical Property Profile of Phenethyl tosylate
Property Insights of Phenethyl tosylate
The XLogP value of 3.4 indicates that Phenethyl tosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Phenethyl tosylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl tosylate has 0 hydrogen bond donor(s) and 3 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 Phenethyl tosylate?
The CAS number of Phenethyl tosylate is 4455-09-8.
What is the molecular formula of Phenethyl tosylate?
The molecular formula of Phenethyl tosylate is C15H16O3S.
What is the molecular weight of Phenethyl tosylate?
The molecular weight of Phenethyl tosylate is 276.08 g/mol.
Where can I buy Phenethyl tosylate?
You can request a quote for Phenethyl tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl tosylate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.