TL;DR: 1-(1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl)-1-phenethyl-3-phenylthiourea (CAS 1024593-80-3) is a chemical compound with molecular formula C25H22BrN3O2S and molecular weight 507.0616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenyl-1-(2-phenylethyl)thiourea
Also Known As: 1-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenyl-1-(2-phenylethyl)thiourea, 1-(1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl)-1-phenethyl-3-phenylthiourea, 1-[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1-phenethyl-3-phenyl-thiourea, 1-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-1-phenethyl-3-phenylthiourea
| Molecular Formula | C25H22BrN3O2S |
| Molecular Weight | 507.0616 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.0616 Da |
| Heavy Atoms | 32 |
| Complexity | 670.0 |
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)N(CCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4 |
| InChIKey | NEEBMKDOWDJSIQ-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 1-(1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl)-1-phenethyl-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl)-1-phenethyl-3-phenylthiourea. Following Lipinski's Rule of Five, 1-(1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl)-1-phenethyl-3-phenylthiourea has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl)-1-phenethyl-3-phenylthiourea is 1024593-80-3.
The molecular formula of 1-(1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl)-1-phenethyl-3-phenylthiourea is C25H22BrN3O2S.
The molecular weight of 1-(1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl)-1-phenethyl-3-phenylthiourea is 507.0616 g/mol.
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