ethyl 2-(9H-purin-6-ylthio)butanoate
TL;DR: ethyl 2-(9H-purin-6-ylthio)butanoate (CAS 104174-97-2) is a chemical compound with molecular formula C11H14N4O2S and molecular weight 266.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(7H-purin-6-ylsulfanyl)butanoate
Also Known As: ethyl 2-(9H-purin-6-ylthio)butanoate, IFLab1_002149, ethyl 2-(6-purinylthio)butyrate, ethyl 2-(7H-purin-6-ylsulfanyl)butanoate, ethyl 2-(9H-purin-6-ylsulfanyl)butanoate
Technical Specifications
| Molecular Formula | C11H14N4O2S |
| Molecular Weight | 266.08374 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.08374 Da |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
| SMILES | CCC(C(=O)OCC)SC1=NC=NC2=C1NC=N2 |
| InChIKey | HNCRQQNMLJEWID-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-(9H-purin-6-ylthio)butanoate
Property Insights of ethyl 2-(9H-purin-6-ylthio)butanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(9H-purin-6-ylthio)butanoate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(9H-purin-6-ylthio)butanoate. Following Lipinski's Rule of Five, ethyl 2-(9H-purin-6-ylthio)butanoate 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-(9H-purin-6-ylthio)butanoate?
The CAS number of ethyl 2-(9H-purin-6-ylthio)butanoate is 104174-97-2.
What is the molecular formula of ethyl 2-(9H-purin-6-ylthio)butanoate?
The molecular formula of ethyl 2-(9H-purin-6-ylthio)butanoate is C11H14N4O2S.
What is the molecular weight of ethyl 2-(9H-purin-6-ylthio)butanoate?
The molecular weight of ethyl 2-(9H-purin-6-ylthio)butanoate is 266.08374 g/mol.
Where can I buy ethyl 2-(9H-purin-6-ylthio)butanoate?
You can request a quote for ethyl 2-(9H-purin-6-ylthio)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-(9H-purin-6-ylthio)butanoate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-(9H-purin-6-ylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.