TL;DR: 3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethyl-2H-chromen-2-one (CAS 376377-28-5) is a chemical compound with molecular formula C27H24O5 and molecular weight 428.16238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethylchromen-2-one
Also Known As: 3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethyl-2H-chromen-2-one, 3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethylchromen-2-one, 3-benzyl-7-(2-(4-methoxyphenyl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one
| Molecular Formula | C27H24O5 |
| Molecular Weight | 428.16238 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.16238 Da |
| Heavy Atoms | 32 |
| Complexity | 699.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)OC)CC4=CC=CC=C4 |
| InChIKey | IZDUPQBWUNQGRZ-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethyl-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethyl-2H-chromen-2-one is 376377-28-5.
The molecular formula of 3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethyl-2H-chromen-2-one is C27H24O5.
The molecular weight of 3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethyl-2H-chromen-2-one is 428.16238 g/mol.
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