Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate
TL;DR: Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate (CAS 331671-97-7) is a chemical compound with molecular formula C19H30N4O4S and molecular weight 410.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: BAS 00396575, ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate, ethyl 2-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanylacetate, ethyl [(3-methyl-7-nonyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate, ethyl 2-((3-methyl-7-nonyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
| Molecular Formula | C19H30N4O4S |
|---|---|
| Molecular Weight | 410.20 g/mol |
| LogP | 2.8291 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 410.1988 |
| Heavy Atoms | 28 |
| Complexity | 899.6963 |
Chemical Identifiers
| CAS Number | 331671-97-7 |
|---|---|
| SMILES | CCCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C |
Product Overview
Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate (CAS 331671-97-7), with molecular formula C19H30N4O4S and molecular weight 410.20 g/mol. IUPAC: ethyl 2-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate
Property Insights of Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate
The XLogP value of 2.8291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)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 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate?
The CAS number of Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate is 331671-97-7.
What is the molecular formula of Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate?
The molecular formula of Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate is C19H30N4O4S.
What is the molecular weight of Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate?
The molecular weight of Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate is 410.20 g/mol.
Where can I buy Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate?
You can request a quote for Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.