Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
TL;DR: Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate (CAS 27834-99-7) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
Also Known As: ethyl 3-(3-methoxyphenyl)-3-oxopropanoate, Ethyl (3-methoxybenzoyl)acetate, Ethyl m-anisoylacetate, m-Anisoyl-acetic acid ethyl ester, benzenepropanoic acid, 3-methoxy-beta-oxo-, ethyl ester
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.8311 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 384.36008 |
Chemical Identifiers
| CAS Number | 27834-99-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC(=CC=C1)OC |
Product Overview
Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate (CAS 27834-99-7), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: ethyl 3-(3-methoxyphenyl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
Property Insights of Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
The XLogP value of 1.8311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate has 0 hydrogen bond donor(s) and 4 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-methoxyphenyl)-3-oxopropanoate?
The CAS number of Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate is 27834-99-7.
What is the molecular formula of Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate is C12H14O4.
What is the molecular weight of Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate is 222.09 g/mol.
Where can I buy Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(3-methoxyphenyl)-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-methoxyphenyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.