3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate
TL;DR: 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate (CAS 610758-67-3) is a chemical compound with molecular formula C22H20O8 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-acetyloxy-3-(3,4-dimethoxyphenyl)-4-oxochromene-2-carboxylate
Also Known As: 3-(3,4-dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate, ethyl 7-acetoxy-3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxylate, ethyl 7-acetyloxy-3-(3,4-dimethoxyphenyl)-4-oxochromene-2-carboxylate, 7-Acetoxy-3-(3,4-dimethoxy-phenyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester, ethyl 7-(acetyloxy)-3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
| Molecular Formula | C22H20O8 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 3.5792 |
| Topological Polar Surface Area | 101.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1158 |
| Heavy Atoms | 30 |
| Complexity | 1175.7064 |
Chemical Identifiers
| CAS Number | 610758-67-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC(=C(C=C3)OC)OC |
Product Overview
3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate (CAS 610758-67-3), with molecular formula C22H20O8 and molecular weight 412.12 g/mol. IUPAC: ethyl 7-acetyloxy-3-(3,4-dimethoxyphenyl)-4-oxochromene-2-carboxylate.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate
Property Insights of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate
The XLogP value of 3.5792 indicates that 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate has 0 hydrogen bond donor(s) and 8 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 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate?
The CAS number of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate is 610758-67-3.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate is C22H20O8.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate is 412.12 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.