Ethyl 5-acetyl-2-benzyloxybenzoate
TL;DR: Ethyl 5-acetyl-2-benzyloxybenzoate (CAS 60561-28-6) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-acetyl-2-phenylmethoxybenzoate
Also Known As: Ethyl 5-acetyl-2-benzyloxybenzoate, ethyl 5-acetyl-2-(benzyloxy)benzoate, ethyl 5-acetyl-2-phenylmethoxybenzoate, Ethyl 5-acetyl-2-(phenylmethoxy)benzoate, 5-Acetyl-2-benzyloxy benzoic ethyl ester
Technical Specifications
| Molecular Formula | C18H18O4 |
| Molecular Weight | 298.1205 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.1205 Da |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
| SMILES | CCOC(=O)C1=C(C=CC(=C1)C(=O)C)OCC2=CC=CC=C2 |
| InChIKey | XYYPNTNMOUPRLG-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-acetyl-2-benzyloxybenzoate
Property Insights of Ethyl 5-acetyl-2-benzyloxybenzoate
The XLogP value of 3.3 indicates that Ethyl 5-acetyl-2-benzyloxybenzoate 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 5-acetyl-2-benzyloxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-acetyl-2-benzyloxybenzoate 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 5-acetyl-2-benzyloxybenzoate?
The CAS number of Ethyl 5-acetyl-2-benzyloxybenzoate is 60561-28-6.
What is the molecular formula of Ethyl 5-acetyl-2-benzyloxybenzoate?
The molecular formula of Ethyl 5-acetyl-2-benzyloxybenzoate is C18H18O4.
What is the molecular weight of Ethyl 5-acetyl-2-benzyloxybenzoate?
The molecular weight of Ethyl 5-acetyl-2-benzyloxybenzoate is 298.1205 g/mol.
Where can I buy Ethyl 5-acetyl-2-benzyloxybenzoate?
You can request a quote for Ethyl 5-acetyl-2-benzyloxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-acetyl-2-benzyloxybenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-acetyl-2-benzyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.