2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate
TL;DR: 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate (CAS 55163-71-8) 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-methoxy-2-phenylethyl) 4-methylbenzenesulfonate
Also Known As: 2-methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate, J1.439.916J, p-Toluenesulfonic acid beta-methoxyphenethyl ester, (2-methoxy-2-phenylethyl) 4-methylbenzenesulfonate
| Molecular Formula | C16H18O4S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 3.08802 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.0926 |
| Heavy Atoms | 21 |
| Complexity | 663.183 |
Chemical Identifiers
| CAS Number | 55163-71-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=CC=C2)OC |
Product Overview
2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate (CAS 55163-71-8), with molecular formula C16H18O4S and molecular weight 306.09 g/mol. IUPAC: (2-methoxy-2-phenylethyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate
Property Insights of 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate
The XLogP value of 3.08802 indicates that 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate 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-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate?
The CAS number of 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate is 55163-71-8.
What is the molecular formula of 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate?
The molecular formula of 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate is C16H18O4S.
What is the molecular weight of 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate?
The molecular weight of 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate is 306.09 g/mol.
Where can I buy 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate?
You can request a quote for 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-2-phenylethyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.