Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester
TL;DR: Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester (CAS 68758-68-9) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetate
Also Known As: Ethyl 4-hydroxymandelate, ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetate, 4-Hydroxymandelate, Ethyl 4-hydroxy-dl-mandelate, 4-Hydroxymandelic acid ethyl ester
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 68758-68-9 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)O)O |
| InChIKey | VLOUFSKXRCPIQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester (CAS 68758-68-9), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester
Property Insights of Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester has 2 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 Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester?
The CAS number of Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester is 68758-68-9.
What is the molecular formula of Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester?
The molecular formula of Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester is C10H12O4.
What is the molecular weight of Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester?
The molecular weight of Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester is 196.07 g/mol.
Where can I buy Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester?
You can request a quote for Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.