Ethyl homovanillate
TL;DR: Ethyl homovanillate (CAS 60563-13-5) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
Also Known As: Ethyl homovanillate, ethyl 2-(4-hydroxy-3-methoxyphenyl)acetate, Ethyl 4-hydroxy-3-methoxyphenylacetate, Homovanillic acid ethyl, Ethyl homovanillate, 97%
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
| Solubility | Insoluble |
Chemical Identifiers
| CAS Number | 60563-13-5 |
|---|---|
| SMILES | CCOC(=O)CC1=CC(=C(C=C1)O)OC |
| InChIKey | AWPMWZHWVKXADV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl homovanillate (CAS 60563-13-5), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: ethyl 2-(4-hydroxy-3-methoxyphenyl)acetate.
Chemical Property Profile of Ethyl homovanillate
Property Insights of Ethyl homovanillate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl homovanillate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl homovanillate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl homovanillate 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 homovanillate?
The CAS number of Ethyl homovanillate is 60563-13-5.
What is the molecular formula of Ethyl homovanillate?
The molecular formula of Ethyl homovanillate is C11H14O4.
What is the molecular weight of Ethyl homovanillate?
The molecular weight of Ethyl homovanillate is 210.09 g/mol.
Where can I buy Ethyl homovanillate?
You can request a quote for Ethyl homovanillate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl homovanillate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl homovanillate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.