![ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate structure](/static/products/6025/6025-58-7.webp)
ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate
TL;DR: ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate (CAS 6025-58-7) is a chemical compound with molecular formula C12H16N4O3S and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]pentanoate
Also Known As: ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate, Ethyl 5-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]pentanoate, Ethyl 5-[(8,9-dihydro-8-oxo-7H-purin-6-yl)thio]pentanoate, Ethyl 5-[(8-oxo-8,9-dihydro-7H-purin-6-yl)sulfanyl]pentanoate
| Molecular Formula | C12H16N4O3S |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 1.4717 |
| Topological Polar Surface Area | 100.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.0943 |
| Heavy Atoms | 20 |
| Complexity | 636.9093 |
Chemical Identifiers
| CAS Number | 6025-58-7 |
|---|---|
| SMILES | CCOC(=O)CCCCSC1=NC=NC2=C1NC(=O)N2 |
Product Overview
ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate (CAS 6025-58-7), with molecular formula C12H16N4O3S and molecular weight 296.09 g/mol. IUPAC: ethyl 5-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]pentanoate.
Chemical Property Profile of ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate
Property Insights of ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate
The XLogP value of 1.4717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate. The TPSA of 100.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate. Following Lipinski's Rule of Five, ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate 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 ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate?
The CAS number of ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate is 6025-58-7.
What is the molecular formula of ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate?
The molecular formula of ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate is C12H16N4O3S.
What is the molecular weight of ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate?
The molecular weight of ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate is 296.09 g/mol.
Where can I buy ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate?
You can request a quote for ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-[(8-hydroxy-9H-purin-6-yl)thio]pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.