2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate
TL;DR: 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate (CAS 51453-69-1) is a chemical compound with molecular formula C16H18O4S and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)ethyl 4-methylbenzenesulfonate
Also Known As: 4-Benzyloxynitrobenzene, P-BENZOXYNITROBENZENE, 4-methoxyphenethyl tosylate, p-(2-Chloro)ethyl Anisole, 2-(4-methoxyphenyl)ethyl tosylate
| Molecular Formula | C16H18O4S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.0926 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 51453-69-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)OC |
| InChIKey | UOKUSZMAOBRGNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate (CAS 51453-69-1), with molecular formula C16H18O4S and molecular weight 306.09 g/mol. IUPAC: 2-(4-methoxyphenyl)ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate
Property Insights of 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate
The XLogP value of 3.4 indicates that 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 4 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-Methoxyphenyl)ethyl 4-methylbenzenesulfonate?
The CAS number of 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate is 51453-69-1.
What is the molecular formula of 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate?
The molecular formula of 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate is C16H18O4S.
What is the molecular weight of 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate?
The molecular weight of 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate is 306.09 g/mol.
Where can I buy 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate?
You can request a quote for 2-(4-Methoxyphenyl)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-Methoxyphenyl)ethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.