Ethoxycarbonylmethyl 3-phenylpropanoate
TL;DR: Ethoxycarbonylmethyl 3-phenylpropanoate (CAS 74275-79-9) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethoxy-2-oxoethyl) 3-phenylpropanoate
Also Known As: Carboethoxymethyl hydrocinnamate, (2-ethoxy-2-oxoethyl) 3-phenylpropanoate, ETHOXYCARBONYLMETHYL 3-PHENYLPROPANOATE, 2-ETHOXY-2-OXOETHYL 3-PHENYLPROPANOATE, RefChem:341573
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 74275-79-9 |
|---|---|
| SMILES | CCOC(=O)COC(=O)CCC1=CC=CC=C1 |
| InChIKey | XRXGECKJZWPMPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethoxycarbonylmethyl 3-phenylpropanoate (CAS 74275-79-9), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: (2-ethoxy-2-oxoethyl) 3-phenylpropanoate.
Chemical Property Profile of Ethoxycarbonylmethyl 3-phenylpropanoate
Property Insights of Ethoxycarbonylmethyl 3-phenylpropanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethoxycarbonylmethyl 3-phenylpropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethoxycarbonylmethyl 3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethoxycarbonylmethyl 3-phenylpropanoate 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 Ethoxycarbonylmethyl 3-phenylpropanoate?
The CAS number of Ethoxycarbonylmethyl 3-phenylpropanoate is 74275-79-9.
What is the molecular formula of Ethoxycarbonylmethyl 3-phenylpropanoate?
The molecular formula of Ethoxycarbonylmethyl 3-phenylpropanoate is C13H16O4.
What is the molecular weight of Ethoxycarbonylmethyl 3-phenylpropanoate?
The molecular weight of Ethoxycarbonylmethyl 3-phenylpropanoate is 236.10 g/mol.
Where can I buy Ethoxycarbonylmethyl 3-phenylpropanoate?
You can request a quote for Ethoxycarbonylmethyl 3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoxycarbonylmethyl 3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethoxycarbonylmethyl 3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.