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Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
TL;DR: Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate (CAS 7596-05-6) is a chemical compound with molecular formula C14H14O5 and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-methyl-2-oxochromen-7-yl)oxyacetate
Also Known As: ethyl 2-(5-methyl-2-oxochromen-7-yl)oxyacetate, Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
| Molecular Formula | C14H14O5 |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.08414 |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 7596-05-6 |
|---|---|
| SMILES | CCOC(=O)COC1=CC2=C(C=CC(=O)O2)C(=C1)C |
| InChIKey | JGROOKJAWAAMJE-UHFFFAOYSA-N |
Product Overview
Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate (CAS 7596-05-6), with molecular formula C14H14O5 and molecular weight 262.08 g/mol. IUPAC: ethyl 2-(5-methyl-2-oxochromen-7-yl)oxyacetate.
Chemical Property Profile of Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Property Insights of Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate. Following Lipinski's Rule of Five, Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]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 [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate?
The CAS number of Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate is 7596-05-6.
What is the molecular formula of Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate?
The molecular formula of Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate is C14H14O5.
What is the molecular weight of Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate?
The molecular weight of Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate is 262.08 g/mol.
Where can I buy Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate?
You can request a quote for Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(5-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.