Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate
TL;DR: Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate (CAS 5852-00-6) 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 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate
Also Known As: ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate, AE-848/34331020, ethyl (5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate, ethyl 2-(5,7-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetate, Ethyl (5,7-dihydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
| Molecular Formula | C14H14O6 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 1.61822 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.07904 |
| Heavy Atoms | 20 |
| Complexity | 728.502 |
Chemical Identifiers
| CAS Number | 5852-00-6 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C2=C(C=C(C=C2OC1=O)O)O)C |
Product Overview
Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate (CAS 5852-00-6), with molecular formula C14H14O6 and molecular weight 278.08 g/mol. IUPAC: ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate.
Chemical Property Profile of Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate
Property Insights of Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate
The XLogP value of 1.61822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate 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 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate?
The CAS number of Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate is 5852-00-6.
What is the molecular formula of Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate?
The molecular formula of Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate is C14H14O6.
What is the molecular weight of Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate?
The molecular weight of Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate is 278.08 g/mol.
Where can I buy Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate?
You can request a quote for Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)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-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.