3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate
TL;DR: 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate (CAS 100064-10-6) is a chemical compound with molecular formula C20H18O6 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-yl] acetate
Also Known As: 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate, [3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-yl] acetate, 7-Acetoxy-3',4'-dimethoxy-2-methyl-isoflavon, AB00305120-02, F1190-0477
| Molecular Formula | C20H18O6 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 3.71092 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11035 |
| Heavy Atoms | 26 |
| Complexity | 1048.0862 |
Chemical Identifiers
| CAS Number | 100064-10-6 |
|---|---|
| SMILES | CC1=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-methyl-4-oxo-4H-chromen-7-yl acetate (CAS 100064-10-6), with molecular formula C20H18O6 and molecular weight 354.11 g/mol. IUPAC: [3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate
Property Insights of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate
The XLogP value of 3.71092 indicates that 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate has 0 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 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate?
The CAS number of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate is 100064-10-6.
What is the molecular formula of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate?
The molecular formula of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate is C20H18O6.
What is the molecular weight of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate?
The molecular weight of 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate is 354.11 g/mol.
Where can I buy 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate?
You can request a quote for 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-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-methyl-4-oxo-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.