Methyl 5-(9H-purin-6-ylthio)pentanoate
TL;DR: Methyl 5-(9H-purin-6-ylthio)pentanoate (CAS 10226-45-6) 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.
methyl 5-(7H-purin-6-ylsulfanyl)pentanoate
Also Known As: Methyl 5-(7H-purin-6-ylsulfanyl)pentanoate, METHYL 5-(9H-PURIN-6-YLTHIO)PENTANOATE, Methyl 5-[(7H-purin-6-yl)sulfanyl]pentanoate
Technical Specifications
| Molecular Formula | C11H14N4O2S |
| Molecular Weight | 266.08374 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.08374 Da |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
| SMILES | COC(=O)CCCCSC1=NC=NC2=C1NC=N2 |
| InChIKey | XUUYBPFXAKRRHP-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-(9H-purin-6-ylthio)pentanoate
Property Insights of Methyl 5-(9H-purin-6-ylthio)pentanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(9H-purin-6-ylthio)pentanoate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(9H-purin-6-ylthio)pentanoate. Following Lipinski's Rule of Five, Methyl 5-(9H-purin-6-ylthio)pentanoate 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 Methyl 5-(9H-purin-6-ylthio)pentanoate?
The CAS number of Methyl 5-(9H-purin-6-ylthio)pentanoate is 10226-45-6.
What is the molecular formula of Methyl 5-(9H-purin-6-ylthio)pentanoate?
The molecular formula of Methyl 5-(9H-purin-6-ylthio)pentanoate is C11H14N4O2S.
What is the molecular weight of Methyl 5-(9H-purin-6-ylthio)pentanoate?
The molecular weight of Methyl 5-(9H-purin-6-ylthio)pentanoate is 266.08374 g/mol.
Where can I buy Methyl 5-(9H-purin-6-ylthio)pentanoate?
You can request a quote for Methyl 5-(9H-purin-6-ylthio)pentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-(9H-purin-6-ylthio)pentanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-(9H-purin-6-ylthio)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.