TL;DR: Pseudourea, 1,3-dicyclohexyl-2-(3-phenylpropyl)-2-thio-, hydrobromide (CAS 15260-33-0) is a chemical compound with molecular formula C22H35BrN2S and molecular weight 438.17044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylpropyl N,N'-dicyclohexylcarbamimidothioate;hydrobromide
Also Known As: Pseudourea, 1,3-dicyclohexyl-2-(3-phenylpropyl)-2-thio-, hydrobromide, 1,3-Dicyclohexyl-2-(3-phenylpropyl)-2-thiopseudourea hydrobromide, 3-phenylpropyl N,N'-dicyclohexylcarbamimidothioate hydrobromide, 3-Phenylpropyl N,N'-dicyclohexylcarbamimidothioate--hydrogen bromide (1/1), Pseudourea, 1,3-dicyclohexyl-2-(3-phenylpropyl)-2-thio-, monohydrobromide
| Molecular Formula | C22H35BrN2S |
| Molecular Weight | 438.17044 g/mol |
| XLogP | 6.5413 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.17044 Da |
| Heavy Atoms | 26 |
| Complexity | 377.0 |
| SMILES | C1CCC(CC1)NC(=NC2CCCCC2)SCCCC3=CC=CC=C3.Br |
| InChIKey | OAOPJIUQKVNFHV-UHFFFAOYSA-N |
The XLogP value of 6.5413 indicates that Pseudourea, 1,3-dicyclohexyl-2-(3-phenylpropyl)-2-thio-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, Pseudourea, 1,3-dicyclohexyl-2-(3-phenylpropyl)-2-thio-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudourea, 1,3-dicyclohexyl-2-(3-phenylpropyl)-2-thio-, hydrobromide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pseudourea, 1,3-dicyclohexyl-2-(3-phenylpropyl)-2-thio-, hydrobromide is 15260-33-0.
The molecular formula of Pseudourea, 1,3-dicyclohexyl-2-(3-phenylpropyl)-2-thio-, hydrobromide is C22H35BrN2S.
The molecular weight of Pseudourea, 1,3-dicyclohexyl-2-(3-phenylpropyl)-2-thio-, hydrobromide is 438.17044 g/mol.
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