ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
TL;DR: ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate (CAS 154549-60-7) is a chemical compound with molecular formula C11H14N4O4S and molecular weight 298.07358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetate
Also Known As: US12491188, Compound LPF-I-35-1, AB00138856-02, ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, F1008-0121, ethyl 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetate
Technical Specifications
| Molecular Formula | C11H14N4O4S |
| Molecular Weight | 298.07358 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.07358 Da |
| Heavy Atoms | 20 |
| Complexity | 433.0 |
| SMILES | CCOC(=O)CSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | WDZPRUYBWRCQBQ-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
Property Insights of ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate. Following Lipinski's Rule of Five, ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate?
The CAS number of ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate is 154549-60-7.
What is the molecular formula of ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate?
The molecular formula of ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate is C11H14N4O4S.
What is the molecular weight of ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate?
The molecular weight of ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate is 298.07358 g/mol.
Where can I buy ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate?
You can request a quote for ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.