TL;DR: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea (CAS 1023919-42-7) is a chemical compound with molecular formula C27H25N3O7 and molecular weight 503.16925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea, N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]urea, N-(1,3-BENZODIOXOL-5-YLMETHYL)-N'-(4-METHOXYPHENYL)-N-[1-(4-METHOXYPHENYL)-2,5-DIOXOTETRAHYDRO-1H-PYRROL-3-YL]UREA
| Molecular Formula | C27H25N3O7 |
| Molecular Weight | 503.16925 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.16925 Da |
| Heavy Atoms | 37 |
| Complexity | 825.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)N(CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=C(C=C5)OC |
| InChIKey | KVVAELHQXZUBKN-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-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 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea is 1023919-42-7.
The molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea is C27H25N3O7.
The molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea is 503.16925 g/mol.
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