Ethyl 3,4,5-triethoxybenzoate
TL;DR: Ethyl 3,4,5-triethoxybenzoate (CAS 31374-71-7) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,4,5-triethoxybenzoate
Also Known As: Ethyl 3,4,5-triethoxybenzoate, 3,4,5-Triethoxybenzoic acid ethyl ester, 3,4,5-Triethoxy-benzoic acid ethyl ester, Ethyl 3,4,5-triethoxybenzoate #, 3,4,5-Triethoxybenzoicacidethylester
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 31374-71-7 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC |
| InChIKey | YFPCQOCKFBQIQG-UHFFFAOYSA-N |
Product Overview
Ethyl 3,4,5-triethoxybenzoate (CAS 31374-71-7), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: ethyl 3,4,5-triethoxybenzoate.
Chemical Property Profile of Ethyl 3,4,5-triethoxybenzoate
Property Insights of Ethyl 3,4,5-triethoxybenzoate
The XLogP value of 3.2 indicates that Ethyl 3,4,5-triethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Ethyl 3,4,5-triethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,4,5-triethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 3,4,5-triethoxybenzoate?
The CAS number of Ethyl 3,4,5-triethoxybenzoate is 31374-71-7.
What is the molecular formula of Ethyl 3,4,5-triethoxybenzoate?
The molecular formula of Ethyl 3,4,5-triethoxybenzoate is C15H22O5.
What is the molecular weight of Ethyl 3,4,5-triethoxybenzoate?
The molecular weight of Ethyl 3,4,5-triethoxybenzoate is 282.15 g/mol.
Where can I buy Ethyl 3,4,5-triethoxybenzoate?
You can request a quote for Ethyl 3,4,5-triethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,4,5-triethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4,5-triethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.