Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate
TL;DR: Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate (CAS 97025-16-6) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate
Also Known As: ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate, 3-(3,5-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester, 3- -3-OXO-PROPIONICACIDETHYLESTER, 3,5-Dimethoxybenzoylacetic acid ethyl ester, ethyl 3-(3,5-dimethoxyphenyl)-3-oxo-propanoate
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 1.8397 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 416.75778 |
Chemical Identifiers
| CAS Number | 97025-16-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC(=CC(=C1)OC)OC |
Product Overview
Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate (CAS 97025-16-6), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate
Property Insights of Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate
The XLogP value of 1.8397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate 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-(3,5-dimethoxyphenyl)-3-oxopropanoate?
The CAS number of Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate is 97025-16-6.
What is the molecular formula of Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate is C13H16O5.
What is the molecular weight of Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate is 252.10 g/mol.
Where can I buy Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.