4-Ethylphenyl 3,4,5-trimethoxybenzoate
TL;DR: 4-Ethylphenyl 3,4,5-trimethoxybenzoate (CAS 496033-79-5) is a chemical compound with molecular formula C18H20O5 and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylphenyl) 3,4,5-trimethoxybenzoate
Also Known As: 4-ethylphenyl 3,4,5-trimethoxybenzoate, (4-ethylphenyl) 3,4,5-trimethoxybenzoate, AN-329/41306916
| Molecular Formula | C18H20O5 |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.13107 |
| Heavy Atoms | 23 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 496033-79-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | LRARDEUIPWUDOG-UHFFFAOYSA-N |
Product Overview
4-Ethylphenyl 3,4,5-trimethoxybenzoate (CAS 496033-79-5), with molecular formula C18H20O5 and molecular weight 316.13 g/mol. IUPAC: (4-ethylphenyl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 4-Ethylphenyl 3,4,5-trimethoxybenzoate
Property Insights of 4-Ethylphenyl 3,4,5-trimethoxybenzoate
The XLogP value of 4.0 indicates that 4-Ethylphenyl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 4-Ethylphenyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylphenyl 3,4,5-trimethoxybenzoate 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 4-Ethylphenyl 3,4,5-trimethoxybenzoate?
The CAS number of 4-Ethylphenyl 3,4,5-trimethoxybenzoate is 496033-79-5.
What is the molecular formula of 4-Ethylphenyl 3,4,5-trimethoxybenzoate?
The molecular formula of 4-Ethylphenyl 3,4,5-trimethoxybenzoate is C18H20O5.
What is the molecular weight of 4-Ethylphenyl 3,4,5-trimethoxybenzoate?
The molecular weight of 4-Ethylphenyl 3,4,5-trimethoxybenzoate is 316.13 g/mol.
Where can I buy 4-Ethylphenyl 3,4,5-trimethoxybenzoate?
You can request a quote for 4-Ethylphenyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylphenyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylphenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.