ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
TL;DR: ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate (CAS 189150-15-0) is a chemical compound with molecular formula C13H18N4O4S and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
Also Known As: ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate, ethyl 2-((7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate, Ethyl 2-[(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate, Ethyl 2-[(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate #, Propionic acid, 2-(1,2,3,6-tetrahydro-7-ethyl-3-methyl-2,6-dioxopurin-8-ylthio)-, ethyl ester
| Molecular Formula | C13H18N4O4S |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.1049 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 189150-15-0 |
|---|---|
| SMILES | CCN1C2=C(N=C1SC(C)C(=O)OCC)N(C(=O)NC2=O)C |
| InChIKey | VOIBKHIKAIFPHV-UHFFFAOYSA-N |
Product Overview
ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate (CAS 189150-15-0), with molecular formula C13H18N4O4S and molecular weight 326.10 g/mol. IUPAC: ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate.
Chemical Property Profile of ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
Property Insights of ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate. Following Lipinski's Rule of Five, ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate 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 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate?
The CAS number of ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate is 189150-15-0.
What is the molecular formula of ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate?
The molecular formula of ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate is C13H18N4O4S.
What is the molecular weight of ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate?
The molecular weight of ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate is 326.10 g/mol.
Where can I buy ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate?
You can request a quote for ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate 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-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.