Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate
TL;DR: Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate (CAS 53530-26-0) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-4-methoxy-6-propylbenzoate
Also Known As: ethyl divaricatinate, ethyl 2-hydroxy-4-methoxy-6-propylbenzoate, Ethyl 2-hydroxy-4-methoxy-6-propyl-benzoate, Benzoic acid, 2-hydroxy-4-methoxy-6-propyl-, ethyl ester, 2-Hydroxy-4-methoxy-6-propylbenzoic acid ethyl ester
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 53530-26-0 |
|---|---|
| SMILES | CCCC1=C(C(=CC(=C1)OC)O)C(=O)OCC |
| InChIKey | ZTEGMSJYDACIAV-UHFFFAOYSA-N |
Product Overview
Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate (CAS 53530-26-0), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: ethyl 2-hydroxy-4-methoxy-6-propylbenzoate.
Chemical Property Profile of Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate
Property Insights of Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate
The XLogP value of 3.6 indicates that Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate 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 2-hydroxy-4-methoxy-6-propylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate 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 2-hydroxy-4-methoxy-6-propylbenzoate?
The CAS number of Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate is 53530-26-0.
What is the molecular formula of Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate?
The molecular formula of Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate is C13H18O4.
What is the molecular weight of Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate?
The molecular weight of Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate is 238.12 g/mol.
Where can I buy Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate?
You can request a quote for Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.