1-Propoxymethyl-6-(phenylthio)thymine
TL;DR: 1-Propoxymethyl-6-(phenylthio)thymine (CAS 133563-27-6) is a chemical compound with molecular formula C15H18N2O3S and molecular weight 306.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-6-phenylsulfanyl-1-(propoxymethyl)pyrimidine-2,4-dione
Also Known As: pepstatin, HEPT deriv., 1-Propoxymethyl-6-(phenylthio)thymine, 1-[Propoxymethyl]-6-(phenylthio)thymine, 5-methyl-6-phenylsulfanyl-1-(propoxymethyl)pyrimidine-2,4-dione
Technical Specifications
| Molecular Formula | C15H18N2O3S |
| Molecular Weight | 306.10382 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.10382 Da |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
| SMILES | CCCOCN1C(=C(C(=O)NC1=O)C)SC2=CC=CC=C2 |
| InChIKey | VLJGNNUWYMFUAN-UHFFFAOYSA-N |
Chemical Property Profile of 1-Propoxymethyl-6-(phenylthio)thymine
Property Insights of 1-Propoxymethyl-6-(phenylthio)thymine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propoxymethyl-6-(phenylthio)thymine. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propoxymethyl-6-(phenylthio)thymine. Following Lipinski's Rule of Five, 1-Propoxymethyl-6-(phenylthio)thymine 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 1-Propoxymethyl-6-(phenylthio)thymine?
The CAS number of 1-Propoxymethyl-6-(phenylthio)thymine is 133563-27-6.
What is the molecular formula of 1-Propoxymethyl-6-(phenylthio)thymine?
The molecular formula of 1-Propoxymethyl-6-(phenylthio)thymine is C15H18N2O3S.
What is the molecular weight of 1-Propoxymethyl-6-(phenylthio)thymine?
The molecular weight of 1-Propoxymethyl-6-(phenylthio)thymine is 306.10382 g/mol.
Where can I buy 1-Propoxymethyl-6-(phenylthio)thymine?
You can request a quote for 1-Propoxymethyl-6-(phenylthio)thymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Propoxymethyl-6-(phenylthio)thymine?
Yes, CoreyChem provides custom synthesis services for 1-Propoxymethyl-6-(phenylthio)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.