1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine
TL;DR: 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine (CAS 125056-70-4) is a chemical compound with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-acetylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Also Known As: 4'-AcHEPT, HEPT deriv., 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine, 6-(4-Acetylphenylthio)-1-(2-hydroxyethoxymethyl)thymine, 2,4(1H,3H)-Pyrimidinedione,6-[(4-acetylphenyl)thio]-1-[(2-hydroxyethoxy)methyl]-5-methyl-
| Molecular Formula | C16H18N2O5S |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.09363 |
| Heavy Atoms | 24 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 125056-70-4 |
|---|---|
| SMILES | CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=C(C=C2)C(=O)C |
| InChIKey | ZSERKDZVJSLUNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine (CAS 125056-70-4), with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol. IUPAC: 6-(4-acetylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine
Property Insights of 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine. Following Lipinski's Rule of Five, 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine has 2 hydrogen bond donor(s) and 6 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-(methylcarbonyl)phenyl)thio)thymine?
The CAS number of 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine is 125056-70-4.
What is the molecular formula of 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine?
The molecular formula of 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine is C16H18N2O5S.
What is the molecular weight of 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine?
The molecular weight of 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine is 350.09 g/mol.
Where can I buy 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine?
You can request a quote for 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)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-(methylcarbonyl)phenyl)thio)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Hydroxyethoxy)methyl)-6-((4-(methylcarbonyl)phenyl)thio)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.