![Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate structure](/static/products/4893/489396-30-7.webp)
Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
TL;DR: Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate (CAS 489396-30-7) is a chemical compound with molecular formula C14H20N4O5S and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: UPCMLD0ENAT5829948:001, BAS 04914736, AB00685746-01, AB00685746-02, ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
| Molecular Formula | C14H20N4O5S |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 0.115 |
| Topological Polar Surface Area | 108.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.11545 |
| Heavy Atoms | 24 |
| Complexity | 838.028 |
Chemical Identifiers
| CAS Number | 489396-30-7 |
|---|---|
| SMILES | CCOCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C |
Product Overview
Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate (CAS 489396-30-7), with molecular formula C14H20N4O5S and molecular weight 356.12 g/mol. IUPAC: ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Property Insights of Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
The XLogP value of 0.115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate. The TPSA of 108.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate has 1 hydrogen bond donor(s) and 7 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 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate?
The CAS number of Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate is 489396-30-7.
What is the molecular formula of Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate?
The molecular formula of Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate is C14H20N4O5S.
What is the molecular weight of Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate?
The molecular weight of Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate is 356.12 g/mol.
Where can I buy Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate?
You can request a quote for Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.