![ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate structure](/static/products/313/313507-29-8.png)
ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
TL;DR: ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate (CAS 313507-29-8) is a chemical compound with molecular formula C11H14N4O4S and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: BAS 00286827, AB00123365-02, AH-034/07822057, ethyl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate, ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
| Molecular Formula | C11H14N4O4S |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | -0.3845 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.07358 |
| Heavy Atoms | 20 |
| Complexity | 773.0467 |
Chemical Identifiers
| CAS Number | 313507-29-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C |
Product Overview
ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate (CAS 313507-29-8), with molecular formula C11H14N4O4S and molecular weight 298.07 g/mol. IUPAC: ethyl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Property Insights of ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
The XLogP value of -0.3845 indicates that ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]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
Frequently Asked Questions
What is the CAS number of ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate?
The CAS number of ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate is 313507-29-8.
What is the molecular formula of ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate?
The molecular formula of ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate is C11H14N4O4S.
What is the molecular weight of ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate?
The molecular weight of ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate is 298.07 g/mol.
Where can I buy ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate?
You can request a quote for ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.