TL;DR: ethyl 6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-h]chromene-7-carboxylate (CAS 116409-03-1) is a chemical compound with molecular formula C23H24O8 and molecular weight 428.14713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-h]chromene-7-carboxylate
Also Known As: ethyl 6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-h]chromene-7-carboxylate, Ethyl 6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-h)(1)benzopyran-7-carboxylate, 8H-1,3-Dioxolo(4,5-h)(1)benzopyran-7-carboxylic acid, 6-methyl-8-(3,4, 5-trimethoxyphenyl)-, ethyl e, 8H-1,3-Dioxolo(4,5-h)(1)benzopyran-7-carboxylic acid, 6-methyl-8-(3,4,5-trimethoxyphenyl)-, ethyl ester, Ethyl 6-methyl-8-(3,4,5-trimethoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-h][1]benzopyran-7-carboxylate
| Molecular Formula | C23H24O8 |
| Molecular Weight | 428.14713 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.14713 Da |
| Heavy Atoms | 31 |
| Complexity | 664.0 |
| SMILES | CCOC(=O)C1=C(C2=C(C3=C(C=C2)OCO3)OC1C4=CC(=C(C(=C4)OC)OC)OC)C |
| InChIKey | RGZYMLHBTMVDJV-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that ethyl 6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-h]chromene-7-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-h]chromene-7-carboxylate. Following Lipinski's Rule of Five, ethyl 6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-h]chromene-7-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-h]chromene-7-carboxylate is 116409-03-1.
The molecular formula of ethyl 6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-h]chromene-7-carboxylate is C23H24O8.
The molecular weight of ethyl 6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-h]chromene-7-carboxylate is 428.14713 g/mol.
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