3-Ethoxy-4-hydroxymandelic acid
TL;DR: 3-Ethoxy-4-hydroxymandelic acid (CAS 51776-94-4) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethoxy-4-hydroxyphenyl)-2-hydroxyacetic acid
Also Known As: EHMA, 3-Ethoxy-4-hydroxymandelic acid, 3-Ethoxy-p-hydroxymandelic acid, 2-(3-ethoxy-4-hydroxyphenyl)-2-hydroxyacetic acid, 3-ethoxy-4-hydroxymandelicacid
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06847 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 51776-94-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C(C(=O)O)O)O |
| InChIKey | YOIZTLBZAMFVPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethoxy-4-hydroxymandelic acid (CAS 51776-94-4), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: 2-(3-ethoxy-4-hydroxyphenyl)-2-hydroxyacetic acid.
Chemical Property Profile of 3-Ethoxy-4-hydroxymandelic acid
Property Insights of 3-Ethoxy-4-hydroxymandelic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-4-hydroxymandelic acid. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethoxy-4-hydroxymandelic acid. Following Lipinski's Rule of Five, 3-Ethoxy-4-hydroxymandelic acid has 3 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 3-Ethoxy-4-hydroxymandelic acid?
The CAS number of 3-Ethoxy-4-hydroxymandelic acid is 51776-94-4.
What is the molecular formula of 3-Ethoxy-4-hydroxymandelic acid?
The molecular formula of 3-Ethoxy-4-hydroxymandelic acid is C10H12O5.
What is the molecular weight of 3-Ethoxy-4-hydroxymandelic acid?
The molecular weight of 3-Ethoxy-4-hydroxymandelic acid is 212.07 g/mol.
Where can I buy 3-Ethoxy-4-hydroxymandelic acid?
You can request a quote for 3-Ethoxy-4-hydroxymandelic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-4-hydroxymandelic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-4-hydroxymandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.