TL;DR: 1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-[2-(4-methoxyphenyl)ethyl]-3-phenylthiourea (CAS 1024734-98-2) is a chemical compound with molecular formula C29H31N3O4S and molecular weight 517.20355 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-[2-(4-methoxyphenyl)ethyl]-3-phenylthiourea
Also Known As: 1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-[2-(4-methoxyphenyl)ethyl]-3-phenylthiourea, 1-(2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)-1-(4-methoxyphenethyl)-3-phenylthiourea, 1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-[2-(4-methoxyphenyl)ethyl]-3-phenyl-thiourea
| Molecular Formula | C29H31N3O4S |
| Molecular Weight | 517.20355 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.20355 Da |
| Heavy Atoms | 37 |
| Complexity | 758.0 |
| SMILES | CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=C(C=C3)OC)C(=S)NC4=CC=CC=C4 |
| InChIKey | LMTSGKWXPRZJEX-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]-3-phenylthiourea is 1024734-98-2.
The molecular formula of 1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-[2-(4-methoxyphenyl)ethyl]-3-phenylthiourea is C29H31N3O4S.
The molecular weight of 1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-[2-(4-methoxyphenyl)ethyl]-3-phenylthiourea is 517.20355 g/mol.
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