TL;DR: 5-Isopropyl-1-((hydroxyethoxy)methyl)-6-(3,5-dimethylphenythio)-2-thiouracil (CAS 137897-89-3) is a chemical compound with molecular formula C18H24N2O3S2 and molecular weight 380.12283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-propan-2-yl-2-sulfanylidenepyrimidin-4-one
Also Known As: I-Hepu-sdm, HEPT deriv., 5-iPr-3',5'-DiMeHEPT-S, 5-isopropyl-1-( -6-2-thiouracil, 5-isopropyl-1-( -6- -2-thiouracil
| Molecular Formula | C18H24N2O3S2 |
| Molecular Weight | 380.12283 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.12283 Da |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
| SMILES | CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=S)N2COCCO)C(C)C)C |
| InChIKey | BFWDEZUKKBSUKN-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 5-Isopropyl-1-((hydroxyethoxy)methyl)-6-(3,5-dimethylphenythio)-2-thiouracil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isopropyl-1-((hydroxyethoxy)methyl)-6-(3,5-dimethylphenythio)-2-thiouracil. Following Lipinski's Rule of Five, 5-Isopropyl-1-((hydroxyethoxy)methyl)-6-(3,5-dimethylphenythio)-2-thiouracil has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Isopropyl-1-((hydroxyethoxy)methyl)-6-(3,5-dimethylphenythio)-2-thiouracil is 137897-89-3.
The molecular formula of 5-Isopropyl-1-((hydroxyethoxy)methyl)-6-(3,5-dimethylphenythio)-2-thiouracil is C18H24N2O3S2.
The molecular weight of 5-Isopropyl-1-((hydroxyethoxy)methyl)-6-(3,5-dimethylphenythio)-2-thiouracil is 380.12283 g/mol.
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