Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate
TL;DR: Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate (CAS 53090-45-2) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-(4-phenylmethoxyphenyl)propanoate
Also Known As: ethyl 3-[4-(benzyloxy)phenyl]-3-oxopropanoate, ethyl-4-benzyloxybenzoylacetate, Ethyl 3-oxo-3-(4-phenylmethoxyphenyl)propanoate, ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate, BETA-OXO-4-(PHENYLMETHOXY)-BENZENEPROPANOIC ACID ETHYL ESTER
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.4015 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 617.2952 |
Chemical Identifiers
| CAS Number | 53090-45-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2 |
Product Overview
Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate (CAS 53090-45-2), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: ethyl 3-oxo-3-(4-phenylmethoxyphenyl)propanoate.
Chemical Property Profile of Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate
Property Insights of Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate
The XLogP value of 3.4015 indicates that Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-(benzyloxy)phenyl)-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-(4-(benzyloxy)phenyl)-3-oxopropanoate?
The CAS number of Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate is 53090-45-2.
What is the molecular formula of Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate is C18H18O4.
What is the molecular weight of Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate is 298.12 g/mol.
Where can I buy Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(4-(benzyloxy)phenyl)-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-(4-(benzyloxy)phenyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.