Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate
TL;DR: Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate (CAS 222555-06-8) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate
Also Known As: (S)-ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate, (S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester, ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate, Ethyl (S)-2-Ethoxy-3-(4-hydroxyphenyl)propionate, (S)-Ethyl2-ethoxy-3-(4-hydroxyphenyl)propanoate
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 1.9029 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 344.94202 |
Chemical Identifiers
| CAS Number | 222555-06-8 |
|---|---|
| SMILES | CCO[C@@H](CC1=CC=C(C=C1)O)C(=O)OCC |
Product Overview
Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate (CAS 222555-06-8), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate
Property Insights of Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate
The XLogP value of 1.9029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate. With a topological polar surface area (TPSA) of 55.76 Ų, Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate has 1 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 Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate?
The CAS number of Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate is 222555-06-8.
What is the molecular formula of Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate?
The molecular formula of Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate is C13H18O4.
What is the molecular weight of Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate?
The molecular weight of Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate is 238.12 g/mol.
Where can I buy Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate?
You can request a quote for Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.