Ethyl vanillate
TL;DR: Ethyl vanillate (CAS 617-05-0) 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 4-hydroxy-3-methoxybenzoate
Also Known As: Ethyl vanillate, Ethyl 4-hydroxy-3-methoxybenzoate, ethylvanillate, Ethyl Vanilate, VANILLIC ACID, ETHYL ESTER
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 617-05-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)O)OC |
| InChIKey | MWAYRGBWOVHDDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl vanillate (CAS 617-05-0), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: ethyl 4-hydroxy-3-methoxybenzoate.
Chemical Property Profile of Ethyl vanillate
Property Insights of Ethyl vanillate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl vanillate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl vanillate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl vanillate 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 vanillate?
The CAS number of Ethyl vanillate is 617-05-0.
What is the molecular formula of Ethyl vanillate?
The molecular formula of Ethyl vanillate is C10H12O4.
What is the molecular weight of Ethyl vanillate?
The molecular weight of Ethyl vanillate is 196.07 g/mol.
Where can I buy Ethyl vanillate?
You can request a quote for Ethyl vanillate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl vanillate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl vanillate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.