Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester
TL;DR: Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester (CAS 2881-83-6) 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-(4-methoxyphenyl)-3-oxopropanoate
Also Known As: ethyl 3-(4-methoxyphenyl)-3-oxopropanoate, Ethyl 4-methoxybenzoylacetate, Ethyl p-anisoylacetate, Ethyl (4-methoxybenzoyl)acetate, MOBEE
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 2881-83-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)OC |
| InChIKey | KRAHENMBSVAAHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester (CAS 2881-83-6), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: ethyl 3-(4-methoxyphenyl)-3-oxopropanoate.
Chemical Property Profile of Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester
Property Insights of Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester 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 Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester?
The CAS number of Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester is 2881-83-6.
What is the molecular formula of Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester?
The molecular formula of Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester is C12H14O4.
What is the molecular weight of Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester?
The molecular weight of Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester is 222.09 g/mol.
Where can I buy Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester?
You can request a quote for Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.