1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine
TL;DR: 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine (CAS 125056-59-9) is a chemical compound with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethoxymethyl)-5-methyl-6-(4-methylphenyl)sulfanylpyrimidine-2,4-dione
Also Known As: 4'-MeHEPT, HEPT deriv., 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine, 6-(4-Methylphenylthio)-1-(2-hydroxyethoxymethyl)thymine, 1-<(2-hydroxyethoxy)methyl>-6-<(4-methylphenyl)thio>thymine
| Molecular Formula | C15H18N2O4S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.09872 |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 125056-59-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C(=O)NC(=O)N2COCCO)C |
| InChIKey | OMBAAFSEFCJXOO-UHFFFAOYSA-N |
Product Overview
1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine (CAS 125056-59-9), with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol. IUPAC: 1-(2-hydroxyethoxymethyl)-5-methyl-6-(4-methylphenyl)sulfanylpyrimidine-2,4-dione.
Chemical Property Profile of 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine
Property Insights of 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine. Following Lipinski's Rule of Five, 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine 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
Frequently Asked Questions
What is the CAS number of 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine?
The CAS number of 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine is 125056-59-9.
What is the molecular formula of 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine?
The molecular formula of 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine is C15H18N2O4S.
What is the molecular weight of 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine?
The molecular weight of 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine is 322.10 g/mol.
Where can I buy 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine?
You can request a quote for 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Hydroxyethoxy)methyl)-6-((4-methylphenyl)thio)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.