Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate
TL;DR: Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate (CAS 71028-88-1) is a chemical compound with molecular formula C14H14O6 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate
Also Known As: ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate, NCI60_000451, ethyl 3-(5,7-dihydroxy-2-oxo-chromen-4-yl)propanoate, Ethyl 3-(5,7-dihydroxy-2-oxo-2H-chromen-4-yl)propanoate, Ethyl 3-(5,7-dihydroxy-2-oxo-2H-1-benzopyran-4-yl)propanoate
| Molecular Formula | C14H14O6 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 1.6999 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.07904 |
| Heavy Atoms | 20 |
| Complexity | 700.61176 |
Chemical Identifiers
| CAS Number | 71028-88-1 |
|---|---|
| SMILES | CCOC(=O)CCC1=CC(=O)OC2=CC(=CC(=C12)O)O |
Product Overview
Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate (CAS 71028-88-1), with molecular formula C14H14O6 and molecular weight 278.08 g/mol. IUPAC: ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate.
Chemical Property Profile of Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate
Property Insights of Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate
The XLogP value of 1.6999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate has 2 hydrogen bond donor(s) and 6 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-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate?
The CAS number of Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate is 71028-88-1.
What is the molecular formula of Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate?
The molecular formula of Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate is C14H14O6.
What is the molecular weight of Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate?
The molecular weight of Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate is 278.08 g/mol.
Where can I buy Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate?
You can request a quote for Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.