6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
TL;DR: 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine (CAS 137897-77-9) is a chemical compound with molecular formula C15H16N2O6S and molecular weight 352.0729 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzoic acid
Also Known As: 3'-COOHHEPT, HEPT deriv., 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine, 3-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxo-pyrimidin-4-yl]sulfanylbenzoic acid, 6-[(3-Carboxyphenyl)thio]-1-[(2-hydroxyethoxy)methyl]thymine
Technical Specifications
| Molecular Formula | C15H16N2O6S |
| Molecular Weight | 352.0729 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.0729 Da |
| Heavy Atoms | 24 |
| Complexity | 550.0 |
| SMILES | CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC(=C2)C(=O)O |
| InChIKey | TTZDFDVLDMJITC-UHFFFAOYSA-N |
Chemical Property Profile of 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
Property Insights of 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine. The TPSA of 141.0 Ų indicates high polarity, suggesting 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The CAS number of 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is 137897-77-9.
What is the molecular formula of 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The molecular formula of 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is C15H16N2O6S.
What is the molecular weight of 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The molecular weight of 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is 352.0729 g/mol.
Where can I buy 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
You can request a quote for 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
Yes, CoreyChem provides custom synthesis services for 6-((3-Carboxyphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.