TL;DR: 5-Ethyl-1-((cyclohexylmethoxy)methyl-6-(phenylthio)-2-thiouracil (CAS 144410-26-4) is a chemical compound with molecular formula C20H26N2O2S2 and molecular weight 390.1436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(cyclohexylmethoxymethyl)-5-ethyl-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Also Known As: HEPT deriv., 1-cyHexMeOMe-6PhS-5Et2thio U, 5-Ethyl-1-((cyclohexylmethoxy)methyl-6-(phenylthio)-2-thiouracil, 1-[(Cyclohexylmethoxy)methyl]-5-ethyl-6-(phenylthio)thiouracil, 5-Ethyl-1-[(cyclohexylmethoxy)methyl-6-(phenylthio)-2-thiouracil
| Molecular Formula | C20H26N2O2S2 |
| Molecular Weight | 390.1436 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.1436 Da |
| Heavy Atoms | 26 |
| Complexity | 538.0 |
| SMILES | CCC1=C(N(C(=S)NC1=O)COCC2CCCCC2)SC3=CC=CC=C3 |
| InChIKey | RCGCEULDUYAHNS-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 5-Ethyl-1-((cyclohexylmethoxy)methyl-6-(phenylthio)-2-thiouracil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-1-((cyclohexylmethoxy)methyl-6-(phenylthio)-2-thiouracil. Following Lipinski's Rule of Five, 5-Ethyl-1-((cyclohexylmethoxy)methyl-6-(phenylthio)-2-thiouracil has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-Ethyl-1-((cyclohexylmethoxy)methyl-6-(phenylthio)-2-thiouracil is 144410-26-4.
The molecular formula of 5-Ethyl-1-((cyclohexylmethoxy)methyl-6-(phenylthio)-2-thiouracil is C20H26N2O2S2.
The molecular weight of 5-Ethyl-1-((cyclohexylmethoxy)methyl-6-(phenylthio)-2-thiouracil is 390.1436 g/mol.
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