![ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate structure](/static/products/327/327167-49-7.png)
ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
TL;DR: ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate (CAS 327167-49-7) is a chemical compound with molecular formula C22H36N4O4S and molecular weight 452.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate, Ethyl 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate, ethyl 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate, ethyl 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
| Molecular Formula | C22H36N4O4S |
|---|---|
| Molecular Weight | 452.25 g/mol |
| LogP | 3.9994 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 452.24573 |
| Heavy Atoms | 31 |
| Complexity | 947.3596 |
Chemical Identifiers
| CAS Number | 327167-49-7 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C |
Product Overview
ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate (CAS 327167-49-7), with molecular formula C22H36N4O4S and molecular weight 452.25 g/mol. IUPAC: ethyl 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Property Insights of ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
The XLogP value of 3.9994 indicates that ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl [(7-dodecyl-3-methyl-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 [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate?
The CAS number of ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate is 327167-49-7.
What is the molecular formula of ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate?
The molecular formula of ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate is C22H36N4O4S.
What is the molecular weight of ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate?
The molecular weight of ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate is 452.25 g/mol.
Where can I buy ethyl [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate?
You can request a quote for ethyl [(7-dodecyl-3-methyl-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 [(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [(7-dodecyl-3-methyl-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.