TL;DR: 3-(4-chlorophenyl)-1-(4-methoxybenzyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea (CAS 1022917-95-8) is a chemical compound with molecular formula C26H24ClN3O5 and molecular weight 493.14044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]urea
Also Known As: 3-(4-chlorophenyl)-1-(4-methoxybenzyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea, 3-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]urea, N'-(4-CHLOROPHENYL)-N-(4-METHOXYBENZYL)-N-[1-(4-METHOXYPHENYL)-2,5-DIOXOTETRAHYDRO-1H-PYRROL-3-YL]UREA
| Molecular Formula | C26H24ClN3O5 |
| Molecular Weight | 493.14044 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.14044 Da |
| Heavy Atoms | 35 |
| Complexity | 743.0 |
| SMILES | COC1=CC=C(C=C1)CN(C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC)C(=O)NC4=CC=C(C=C4)Cl |
| InChIKey | VGXGYVQYQOQOFK-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 3-(4-chlorophenyl)-1-(4-methoxybenzyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-1-(4-methoxybenzyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-1-(4-methoxybenzyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-chlorophenyl)-1-(4-methoxybenzyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea is 1022917-95-8.
The molecular formula of 3-(4-chlorophenyl)-1-(4-methoxybenzyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea is C26H24ClN3O5.
The molecular weight of 3-(4-chlorophenyl)-1-(4-methoxybenzyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea is 493.14044 g/mol.
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