TL;DR: 1-(2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)-1-(4-methoxybenzyl)-3-phenylthiourea (CAS 1030881-72-1) is a chemical compound with molecular formula C28H29N3O4S and molecular weight 503.18787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-phenylthiourea
Also Known As: 1-(2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)-1-(4-methoxybenzyl)-3-phenylthiourea, 1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-(4-methoxybenzyl)-3-phenylthiourea, 1-[2,5-Dioxo-1-(4-propoxy-phenyl)-pyrrolidin-3-yl]-1-(4-methoxy-benzyl)-3-phenyl-thiourea, 1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-phenylthiourea
| Molecular Formula | C28H29N3O4S |
| Molecular Weight | 503.18787 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.18787 Da |
| Heavy Atoms | 36 |
| Complexity | 743.0 |
| SMILES | CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC=C(C=C3)OC)C(=S)NC4=CC=CC=C4 |
| InChIKey | LSOBDWJZTKLCPB-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 1-(2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)-1-(4-methoxybenzyl)-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)-1-(4-methoxybenzyl)-3-phenylthiourea. Following Lipinski's Rule of Five, 1-(2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)-1-(4-methoxybenzyl)-3-phenylthiourea has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)-1-(4-methoxybenzyl)-3-phenylthiourea is 1030881-72-1.
The molecular formula of 1-(2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)-1-(4-methoxybenzyl)-3-phenylthiourea is C28H29N3O4S.
The molecular weight of 1-(2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)-1-(4-methoxybenzyl)-3-phenylthiourea is 503.18787 g/mol.
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