Ethyl 3-(4-methoxybenzoyl)propionate
TL;DR: Ethyl 3-(4-methoxybenzoyl)propionate (CAS 151519-45-8) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(4-methoxyphenyl)-4-oxobutanoate
Also Known As: Ethyl 3-(4-methoxybenzoyl)propionate, Ethyl 4-(4-methoxyphenyl)-4-oxobutanoate, Ethyl 4-(4-methoxyphenyl)-4-oxobutyrate, Ethyl 3-(4-methoxybenzoylpropionate, ethyl 3-(4-methoxybenzoyl)propanoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.10486 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | CCOC(=O)CCC(=O)C1=CC=C(C=C1)OC |
| InChIKey | FYUAOZFEVHSJTO-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-(4-methoxybenzoyl)propionate
Property Insights of Ethyl 3-(4-methoxybenzoyl)propionate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-methoxybenzoyl)propionate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-(4-methoxybenzoyl)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-methoxybenzoyl)propionate 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
What is the CAS number of Ethyl 3-(4-methoxybenzoyl)propionate?
The CAS number of Ethyl 3-(4-methoxybenzoyl)propionate is 151519-45-8.
What is the molecular formula of Ethyl 3-(4-methoxybenzoyl)propionate?
The molecular formula of Ethyl 3-(4-methoxybenzoyl)propionate is C13H16O4.
What is the molecular weight of Ethyl 3-(4-methoxybenzoyl)propionate?
The molecular weight of Ethyl 3-(4-methoxybenzoyl)propionate is 236.10486 g/mol.
Where can I buy Ethyl 3-(4-methoxybenzoyl)propionate?
You can request a quote for Ethyl 3-(4-methoxybenzoyl)propionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-(4-methoxybenzoyl)propionate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-(4-methoxybenzoyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.