5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil
TL;DR: 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil (CAS 136160-45-7) is a chemical compound with molecular formula C21H22N2O2S2 and molecular weight 398.11227 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-1-(2-phenylethoxymethyl)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Also Known As: HEPT deriv., 1-PhEtOMe-6PhS-5Et2thio U, 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil, 1-[(Phenethyloxy)methyl]-5-ethyl-6-(phenylthio)thiouracil, 5-Ethyl-1-[(phenethyloxy)methyl]-6-([phenylthio)-2-thiouracil
Technical Specifications
| Molecular Formula | C21H22N2O2S2 |
| Molecular Weight | 398.11227 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.11227 Da |
| Heavy Atoms | 27 |
| Complexity | 552.0 |
| SMILES | CCC1=C(N(C(=S)NC1=O)COCCC2=CC=CC=C2)SC3=CC=CC=C3 |
| InChIKey | MZJWOKFMVOMROJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil
Property Insights of 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil
The XLogP value of 4.8 indicates that 5-Ethyl-1-((phenethyloxy)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-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil. Following Lipinski's Rule of Five, 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil?
The CAS number of 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil is 136160-45-7.
What is the molecular formula of 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil?
The molecular formula of 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil is C21H22N2O2S2.
What is the molecular weight of 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil?
The molecular weight of 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil is 398.11227 g/mol.
Where can I buy 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil?
You can request a quote for 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil?
Yes, CoreyChem provides custom synthesis services for 5-Ethyl-1-((phenethyloxy)methyl)-6-((phenylthio)-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.