2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate
TL;DR: 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate (CAS 85213-92-9) is a chemical compound with molecular formula C15H15ClO3S and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate
Also Known As: 2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate, 4-chlorophenethyl tosylate, 2-(4-chlorophenyl)ethyl 4-methylbenzene-1-sulfonate, 4-Chlorophenethyl 4-methylbenzenesulfonate, 2-(4-chlorophenyl)ethyl p-toluenesulfonate
| Molecular Formula | C15H15ClO3S |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.04303 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 85213-92-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)Cl |
| InChIKey | OIWKPVLNEDEDPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate (CAS 85213-92-9), with molecular formula C15H15ClO3S and molecular weight 310.04 g/mol. IUPAC: 2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate
Property Insights of 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate
The XLogP value of 4.0 indicates that 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate 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 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate?
The CAS number of 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate is 85213-92-9.
What is the molecular formula of 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate?
The molecular formula of 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate is C15H15ClO3S.
What is the molecular weight of 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate?
The molecular weight of 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate is 310.04 g/mol.
Where can I buy 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate?
You can request a quote for 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)ethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.