TL;DR: 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxybenzyl)-3-(4-methoxyphenyl)urea (CAS 1022923-31-4) is a chemical compound with molecular formula C28H29N3O6 and molecular weight 503.20563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
Also Known As: 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxybenzyl)-3-(4-methoxyphenyl)urea, 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea, N-[1-(4-ETHOXYPHENYL)-2,5-DIOXOTETRAHYDRO-1H-PYRROL-3-YL]-N-(4-METHOXYBENZYL)-N'-(4-METHOXYPHENYL)UREA
| Molecular Formula | C28H29N3O6 |
| Molecular Weight | 503.20563 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.20563 Da |
| Heavy Atoms | 37 |
| Complexity | 770.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC=C(C=C3)OC)C(=O)NC4=CC=C(C=C4)OC |
| InChIKey | AERWFSMOZPLEGP-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxybenzyl)-3-(4-methoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxybenzyl)-3-(4-methoxyphenyl)urea. Following Lipinski's Rule of Five, 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxybenzyl)-3-(4-methoxyphenyl)urea has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxybenzyl)-3-(4-methoxyphenyl)urea is 1022923-31-4.
The molecular formula of 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxybenzyl)-3-(4-methoxyphenyl)urea is C28H29N3O6.
The molecular weight of 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxybenzyl)-3-(4-methoxyphenyl)urea is 503.20563 g/mol.
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