Eugenyl benzoate
TL;DR: Eugenyl benzoate (CAS 531-26-0) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-4-prop-2-enylphenyl) benzoate
Also Known As: Eugenyl benzoate, Eugenol benzoate, Benzoyl eugenol, p-Eugenol, benzoate, 4-Allyl-2-methoxyphenyl benzoate
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 320.0 |
| Melting Point | 69 - 70 °C |
| Boiling Point | 360.00 °C. @ 760.00 mm Hg |
| Solubility | Insoluble in water; Soluble in oils |
Chemical Identifiers
| CAS Number | 531-26-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC=C)OC(=O)C2=CC=CC=C2 |
| InChIKey | ZOGNBLKDKPCKGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Eugenyl benzoate (CAS 531-26-0), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: (2-methoxy-4-prop-2-enylphenyl) benzoate.
Chemical Property Profile of Eugenyl benzoate
Property Insights of Eugenyl benzoate
The XLogP value of 4.4 indicates that Eugenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Eugenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Eugenyl benzoate has 0 hydrogen bond donor(s) and 3 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 Eugenyl benzoate?
The CAS number of Eugenyl benzoate is 531-26-0.
What is the molecular formula of Eugenyl benzoate?
The molecular formula of Eugenyl benzoate is C17H16O3.
What is the molecular weight of Eugenyl benzoate?
The molecular weight of Eugenyl benzoate is 268.11 g/mol.
Where can I buy Eugenyl benzoate?
You can request a quote for Eugenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eugenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Eugenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.