Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester
TL;DR: Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester (CAS 67828-61-9) 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.
ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxyacetate
Also Known As: Ethyl glycolate, Ethyl (2,4-dihydroxyphenyl)glycolate, Ethyl alpha,2,4-trihydroxyphenylacetate, ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxyacetate, Benzeneacetic acid, .alpha.,2,4-trihydroxy-, ethyl ester
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 1.4 |
| 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 | 67828-61-9 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(C=C(C=C1)O)O)O |
| InChIKey | HYPNAAKNJGPLND-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester (CAS 67828-61-9), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxyacetate.
Chemical Property Profile of Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester
Property Insights of Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester 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 Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester?
The CAS number of Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester is 67828-61-9.
What is the molecular formula of Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester?
The molecular formula of Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester is C10H12O5.
What is the molecular weight of Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester?
The molecular weight of Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester is 212.07 g/mol.
Where can I buy Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester?
You can request a quote for Benzeneacetic acid, alpha,2,4-trihydroxy-, 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,2,4-trihydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha,2,4-trihydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.