Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate
TL;DR: Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate (CAS 72000-18-1) is a chemical compound with molecular formula C13H12O5 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-oxochromen-7-yl)oxyacetate
Also Known As: ethyl 2-(2-oxochromen-7-yl)oxyacetate, 7-ethoxycarbonylmethoxycoumarin, ETHYL 2-(2-OXO-2H-CHROMEN-7-YLOXY)ACETATE, ethyl 2-[(2-oxo-2H-chromen-7-yl)oxy]acetate, IFLab1_001600
| Molecular Formula | C13H12O5 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.06847 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 72000-18-1 |
|---|---|
| SMILES | CCOC(=O)COC1=CC2=C(C=C1)C=CC(=O)O2 |
| InChIKey | ISXXLZFMWXHVPE-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate (CAS 72000-18-1), with molecular formula C13H12O5 and molecular weight 248.07 g/mol. IUPAC: ethyl 2-(2-oxochromen-7-yl)oxyacetate.
Chemical Property Profile of Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate
Property Insights of Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate. Following Lipinski's Rule of Five, Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate 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-oxo-2H-chromen-7-yloxy)acetate?
The CAS number of Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate is 72000-18-1.
What is the molecular formula of Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate?
The molecular formula of Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate is C13H12O5.
What is the molecular weight of Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate?
The molecular weight of Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate is 248.07 g/mol.
Where can I buy Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate?
You can request a quote for Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate 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-oxo-2H-chromen-7-yloxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-oxo-2H-chromen-7-yloxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.