TL;DR: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenylthiourea (CAS 1024018-48-1) is a chemical compound with molecular formula C30H33N3O5S and molecular weight 547.2141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenylthiourea
Also Known As: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenylthiourea, 1-(3,4-dimethoxyphenethyl)-1-(2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)-3-phenylthiourea, 1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-1-[2,5-dioxo-1-(4-propoxy-phenyl)-pyrrolidin-3-yl]-3-phenyl-thiourea
| Molecular Formula | C30H33N3O5S |
| Molecular Weight | 547.2141 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 547.2141 Da |
| Heavy Atoms | 39 |
| Complexity | 814.0 |
| SMILES | CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC(=C(C=C3)OC)OC)C(=S)NC4=CC=CC=C4 |
| InChIKey | LIDGBHHIDCUGNQ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenylthiourea has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenylthiourea is 1024018-48-1.
The molecular formula of 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenylthiourea is C30H33N3O5S.
The molecular weight of 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenylthiourea is 547.2141 g/mol.
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