Ethyl 4-ethoxy-3,5-dimethoxybenzoate
TL;DR: Ethyl 4-ethoxy-3,5-dimethoxybenzoate (CAS 75332-45-5) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-ethoxy-3,5-dimethoxybenzoate
Also Known As: Ethyl 4-ethoxy-3,5-dimethoxybenzoate, Ethyl 4-ethoxy-3,5-dimethoxybenzoate #, 4-Ethoxy-3,5-dimethoxybenzoic acid ethyl ester, Benzoic acid, 4-ethoxy-3,5-dimethoxy-, ethyl ester
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 75332-45-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1OC)C(=O)OCC)OC |
| InChIKey | VOASDQVYCJOXTK-UHFFFAOYSA-N |
Product Overview
Ethyl 4-ethoxy-3,5-dimethoxybenzoate (CAS 75332-45-5), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: ethyl 4-ethoxy-3,5-dimethoxybenzoate.
Chemical Property Profile of Ethyl 4-ethoxy-3,5-dimethoxybenzoate
Property Insights of Ethyl 4-ethoxy-3,5-dimethoxybenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-ethoxy-3,5-dimethoxybenzoate. With a topological polar surface area (TPSA) of 54.0 Ų, Ethyl 4-ethoxy-3,5-dimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-ethoxy-3,5-dimethoxybenzoate 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 4-ethoxy-3,5-dimethoxybenzoate?
The CAS number of Ethyl 4-ethoxy-3,5-dimethoxybenzoate is 75332-45-5.
What is the molecular formula of Ethyl 4-ethoxy-3,5-dimethoxybenzoate?
The molecular formula of Ethyl 4-ethoxy-3,5-dimethoxybenzoate is C13H18O5.
What is the molecular weight of Ethyl 4-ethoxy-3,5-dimethoxybenzoate?
The molecular weight of Ethyl 4-ethoxy-3,5-dimethoxybenzoate is 254.12 g/mol.
Where can I buy Ethyl 4-ethoxy-3,5-dimethoxybenzoate?
You can request a quote for Ethyl 4-ethoxy-3,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-ethoxy-3,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-ethoxy-3,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.