Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate
TL;DR: Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate (CAS 56424-77-2) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate
Also Known As: ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate, ETHYL O-CARBOETHOXYMETHYLSALICYLATE, 4-Bromo-2-methylbenzoic acid, ethyl 2-carbethoxyphenoxyacetate, ETHYL 2-(ETHOXYCARBONYLMETHOXY)BENZOATE
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 56424-77-2 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC=C1C(=O)OCC |
| InChIKey | NIUVYKIVCCMXLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate (CAS 56424-77-2), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate.
Chemical Property Profile of Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate
Property Insights of Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate. Following Lipinski's Rule of Five, Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate has 0 hydrogen bond donor(s) and 5 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 2-(2-ethoxy-2-oxoethoxy)benzoate?
The CAS number of Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate is 56424-77-2.
What is the molecular formula of Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate?
The molecular formula of Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate is C13H16O5.
What is the molecular weight of Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate?
The molecular weight of Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate is 252.10 g/mol.
Where can I buy Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate?
You can request a quote for Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.