![8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione structure](/static/products/839/839680-91-0.png)
8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione
TL;DR: 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione (CAS 839680-91-0) is a chemical compound with molecular formula C22H31N7O2S and molecular weight 457.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione, 8-(3,5-dimethylpiperidin-1-yl)-7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(3,5-dimethylpiperidin-1-yl)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(3,5-dimethylpiperidyl)-7-[2-(4,6-dimethylpyrimidin-2-ylthio)ethyl]-1,3-dime thyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C22H31N7O2S |
|---|---|
| Molecular Weight | 457.23 g/mol |
| LogP | 2.11514 |
| Topological Polar Surface Area | 90.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.22598 |
| Heavy Atoms | 32 |
| Complexity | 1245.7407 |
Chemical Identifiers
| CAS Number | 839680-91-0 |
|---|---|
| SMILES | CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NC(=CC(=N4)C)C)C(=O)N(C(=O)N3C)C)C |
Product Overview
8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione (CAS 839680-91-0), with molecular formula C22H31N7O2S and molecular weight 457.23 g/mol. IUPAC: 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione
Property Insights of 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione
The XLogP value of 2.11514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione. The TPSA of 90.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione has 0 hydrogen bond donor(s) and 7 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-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione?
The CAS number of 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione is 839680-91-0.
What is the molecular formula of 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione?
The molecular formula of 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione is C22H31N7O2S.
What is the molecular weight of 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione?
The molecular weight of 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione is 457.23 g/mol.
Where can I buy 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione?
You can request a quote for 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-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-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.