5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil
TL;DR: 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil (CAS 136011-41-1) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-5-prop-2-enylpyrimidine-2,4-dione
Also Known As: 5-AllylHEPT, HEPT deriv., 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil, 5-Allyl-1-(2-hydroxyethoxymethyl)-6-(phenylthio)uracil, 5-allyl-1-<(2-hydroxyethoxy)methyl>-6-(phenylthio)uracil
Technical Specifications
| Molecular Formula | C16H18N2O4S |
| Molecular Weight | 334.09872 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 334.09872 Da |
| Heavy Atoms | 23 |
| Complexity | 486.0 |
| SMILES | C=CCC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC=C2 |
| InChIKey | DCWJSTOOWZNPLD-UHFFFAOYSA-N |
Chemical Property Profile of 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil
Property Insights of 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil. Following Lipinski's Rule of Five, 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil has 2 hydrogen bond donor(s) and 5 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-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
The CAS number of 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil is 136011-41-1.
What is the molecular formula of 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
The molecular formula of 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil is C16H18N2O4S.
What is the molecular weight of 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
The molecular weight of 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil is 334.09872 g/mol.
Where can I buy 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
You can request a quote for 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
Yes, CoreyChem provides custom synthesis services for 5-Allyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.