Ethyl 5-allyl-3-methoxysalicylate
TL;DR: Ethyl 5-allyl-3-methoxysalicylate (CAS 7152-89-8) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
Also Known As: Ethyl 5-allyl-3-methoxysalicylate, N-Benzyltrimethylsilylamine, ethyl 5-allyl-2-hydroxy-3-methoxybenzoate, ETHYL5-ALLYL-3-METHOXYSALICYLATE, ethyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 7152-89-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CC(=C1)CC=C)OC)O |
| InChIKey | CXFVGZDWOVGSLW-UHFFFAOYSA-N |
Product Overview
Ethyl 5-allyl-3-methoxysalicylate (CAS 7152-89-8), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: ethyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate.
Chemical Property Profile of Ethyl 5-allyl-3-methoxysalicylate
Property Insights of Ethyl 5-allyl-3-methoxysalicylate
The XLogP value of 3.4 indicates that Ethyl 5-allyl-3-methoxysalicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl 5-allyl-3-methoxysalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-allyl-3-methoxysalicylate 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 5-allyl-3-methoxysalicylate?
The CAS number of Ethyl 5-allyl-3-methoxysalicylate is 7152-89-8.
What is the molecular formula of Ethyl 5-allyl-3-methoxysalicylate?
The molecular formula of Ethyl 5-allyl-3-methoxysalicylate is C13H16O4.
What is the molecular weight of Ethyl 5-allyl-3-methoxysalicylate?
The molecular weight of Ethyl 5-allyl-3-methoxysalicylate is 236.10 g/mol.
Where can I buy Ethyl 5-allyl-3-methoxysalicylate?
You can request a quote for Ethyl 5-allyl-3-methoxysalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-allyl-3-methoxysalicylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-allyl-3-methoxysalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.