Ethyl (3,4,5-trimethoxybenzoyl)acetate
TL;DR: Ethyl (3,4,5-trimethoxybenzoyl)acetate (CAS 3044-56-2) is a chemical compound with molecular formula C14H18O6 and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate
Also Known As: Ethyl 3,4,5-trimethoxybenzoylacetate, Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate, Butyric 3,4,5-trimethoxybenzoic anhydride, Ethyl (3,4,5-trimethoxybenzoyl)acetate, Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propionate
| Molecular Formula | C14H18O6 |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 282.11035 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 3044-56-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | VEYNISLTHXQSGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (3,4,5-trimethoxybenzoyl)acetate (CAS 3044-56-2), with molecular formula C14H18O6 and molecular weight 282.11 g/mol. IUPAC: ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate.
Chemical Property Profile of Ethyl (3,4,5-trimethoxybenzoyl)acetate
Property Insights of Ethyl (3,4,5-trimethoxybenzoyl)acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3,4,5-trimethoxybenzoyl)acetate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3,4,5-trimethoxybenzoyl)acetate. Following Lipinski's Rule of Five, Ethyl (3,4,5-trimethoxybenzoyl)acetate has 0 hydrogen bond donor(s) and 6 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-trimethoxybenzoyl)acetate?
The CAS number of Ethyl (3,4,5-trimethoxybenzoyl)acetate is 3044-56-2.
What is the molecular formula of Ethyl (3,4,5-trimethoxybenzoyl)acetate?
The molecular formula of Ethyl (3,4,5-trimethoxybenzoyl)acetate is C14H18O6.
What is the molecular weight of Ethyl (3,4,5-trimethoxybenzoyl)acetate?
The molecular weight of Ethyl (3,4,5-trimethoxybenzoyl)acetate is 282.11 g/mol.
Where can I buy Ethyl (3,4,5-trimethoxybenzoyl)acetate?
You can request a quote for Ethyl (3,4,5-trimethoxybenzoyl)acetate 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-trimethoxybenzoyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3,4,5-trimethoxybenzoyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.