Ethyl 3-(ethoxycarbonyl)benzenepropanoate
TL;DR: Ethyl 3-(ethoxycarbonyl)benzenepropanoate (CAS 10036-21-2) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(3-ethoxy-3-oxopropyl)benzoate
Also Known As: ethyl 3-(3-ethoxy-3-oxopropyl)benzoate, Ethyl 3-(ethoxycarbonyl)benzenepropanoate, Ethyl 3-(2-ethoxycarbonylethyl)benzoate, J2.361.542H, 3-[3-(Ethoxycarbonyl)phenyl]propionic acid ethyl ester
Technical Specifications
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.12051 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.12051 Da |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
| SMILES | CCOC(=O)CCC1=CC(=CC=C1)C(=O)OCC |
| InChIKey | HDGSRVUQMHJTDH-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-(ethoxycarbonyl)benzenepropanoate
Property Insights of Ethyl 3-(ethoxycarbonyl)benzenepropanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(ethoxycarbonyl)benzenepropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-(ethoxycarbonyl)benzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(ethoxycarbonyl)benzenepropanoate 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-(ethoxycarbonyl)benzenepropanoate?
The CAS number of Ethyl 3-(ethoxycarbonyl)benzenepropanoate is 10036-21-2.
What is the molecular formula of Ethyl 3-(ethoxycarbonyl)benzenepropanoate?
The molecular formula of Ethyl 3-(ethoxycarbonyl)benzenepropanoate is C14H18O4.
What is the molecular weight of Ethyl 3-(ethoxycarbonyl)benzenepropanoate?
The molecular weight of Ethyl 3-(ethoxycarbonyl)benzenepropanoate is 250.12051 g/mol.
Where can I buy Ethyl 3-(ethoxycarbonyl)benzenepropanoate?
You can request a quote for Ethyl 3-(ethoxycarbonyl)benzenepropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-(ethoxycarbonyl)benzenepropanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-(ethoxycarbonyl)benzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.