![8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione structure](/static/products/897/897453-97-3.png)
8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione
TL;DR: 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione (CAS 897453-97-3) is a chemical compound with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione
Also Known As: F2599-0068, 8-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione, 8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,9-trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione, 8-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione
| Molecular Formula | C17H18N4O4S |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 0.9543 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1049 |
| Heavy Atoms | 26 |
| Complexity | 1108.9689 |
Chemical Identifiers
| CAS Number | 897453-97-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)C3=CC=C(C=C3)OC |
Product Overview
8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione (CAS 897453-97-3), with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol. IUPAC: 8-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione
Property Insights of 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione
The XLogP value of 0.9543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione has 0 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 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione?
The CAS number of 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione is 897453-97-3.
What is the molecular formula of 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione?
The molecular formula of 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione is C17H18N4O4S.
What is the molecular weight of 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione?
The molecular weight of 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione is 374.10 g/mol.
Where can I buy 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione?
You can request a quote for 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.