6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
TL;DR: 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine (CAS 125056-69-1) is a chemical compound with molecular formula C15H15N3O4S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzonitrile
Also Known As: HEPT deriv., 4'-CNHEPT, 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine, 6-(4-Cyanophenylthio)-1-(2-hydroxyethoxymethyl)thymine, 6-[(4-Cyanophenyl)thio]-1-[(2-hydroxyethoxy)methyl]thymine
| Molecular Formula | C15H15N3O4S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.07834 |
| Heavy Atoms | 23 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 125056-69-1 |
|---|---|
| SMILES | CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=C(C=C2)C#N |
| InChIKey | YCFRNZGEEGRPEH-UHFFFAOYSA-N |
Product Overview
6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine (CAS 125056-69-1), with molecular formula C15H15N3O4S and molecular weight 333.08 g/mol. IUPAC: 4-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzonitrile.
Chemical Property Profile of 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
Property Insights of 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine. Following Lipinski's Rule of Five, 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)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 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The CAS number of 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is 125056-69-1.
What is the molecular formula of 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The molecular formula of 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is C15H15N3O4S.
What is the molecular weight of 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The molecular weight of 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is 333.08 g/mol.
Where can I buy 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
You can request a quote for 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.