Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
TL;DR: Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate (CAS 303969-07-5) is a chemical compound with molecular formula C17H26N4O4S and molecular weight 382.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: ethyl 7-dihydro-1H-purine-2,6-dione, BAS 00844027, ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate, AB00667695-01, F0373-1113
| Molecular Formula | C17H26N4O4S |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 2.0489 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 382.16748 |
| Heavy Atoms | 26 |
| Complexity | 867.99567 |
Chemical Identifiers
| CAS Number | 303969-07-5 |
|---|---|
| SMILES | CCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C |
Product Overview
Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate (CAS 303969-07-5), with molecular formula C17H26N4O4S and molecular weight 382.17 g/mol. IUPAC: ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
Property Insights of Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
The XLogP value of 2.0489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate 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-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The CAS number of Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate is 303969-07-5.
What is the molecular formula of Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The molecular formula of Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate is C17H26N4O4S.
What is the molecular weight of Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The molecular weight of Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate is 382.17 g/mol.
Where can I buy Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
You can request a quote for Ethyl 2-(7-heptyl-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-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.