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Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate
TL;DR: Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate (CAS 326918-89-2) is a chemical compound with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate
Also Known As: ethyl /11451548, BAS 00553136, ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate, ethyl {[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate, ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-1,3,7-trihydropurin-8-ylthio]ac etate
| Molecular Formula | C19H22N4O4S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.13617 |
| Heavy Atoms | 28 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 326918-89-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C |
| InChIKey | DEEVGFDRJDMMJW-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate (CAS 326918-89-2), with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol. IUPAC: ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate
Property Insights of Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-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-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate?
The CAS number of Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate is 326918-89-2.
What is the molecular formula of Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate?
The molecular formula of Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate is C19H22N4O4S.
What is the molecular weight of Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate?
The molecular weight of Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate is 402.14 g/mol.
Where can I buy Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate?
You can request a quote for Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-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-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.