2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate
TL;DR: 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate (CAS 664319-95-3) is a chemical compound with molecular formula C16H18O5S and molecular weight 322.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-4-(hydroxymethyl)phenyl] 4-methylbenzenesulfonate
Also Known As: 2-ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate, AH-487/41814595, [2-ethoxy-4-(hydroxymethyl)phenyl] 4-methylbenzenesulfonate
| Molecular Formula | C16H18O5S |
|---|---|
| Molecular Weight | 322.09 g/mol |
| LogP | 2.65372 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.0875 |
| Heavy Atoms | 22 |
| Complexity | 735.63153 |
Chemical Identifiers
| CAS Number | 664319-95-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)CO)OS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate (CAS 664319-95-3), with molecular formula C16H18O5S and molecular weight 322.09 g/mol. IUPAC: [2-ethoxy-4-(hydroxymethyl)phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate
Property Insights of 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate
The XLogP value of 2.65372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 5 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-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate?
The CAS number of 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate is 664319-95-3.
What is the molecular formula of 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate?
The molecular formula of 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate is C16H18O5S.
What is the molecular weight of 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate?
The molecular weight of 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate is 322.09 g/mol.
Where can I buy 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate?
You can request a quote for 2-Ethoxy-4-(hydroxymethyl)phenyl 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-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-4-(hydroxymethyl)phenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.