8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 714253-10-8) is a chemical compound with molecular formula C22H25N7O2S and molecular weight 451.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(methyl)amino]-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methylpurine-2,6-dione
Also Known As: 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[benzyl(methyl)amino]-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methylpurine-2,6-dione, 8-[benzyl(methyl)amino]-7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H25N7O2S |
|---|---|
| Molecular Weight | 451.18 g/mol |
| LogP | 2.25884 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.17905 |
| Heavy Atoms | 32 |
| Complexity | 1354.7961 |
Chemical Identifiers
| CAS Number | 714253-10-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N(C)CC4=CC=CC=C4)N(C(=O)NC3=O)C)C |
Product Overview
8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 714253-10-8), with molecular formula C22H25N7O2S and molecular weight 451.18 g/mol. IUPAC: 8-[benzyl(methyl)amino]-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.25884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 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-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 714253-10-8.
What is the molecular formula of 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C22H25N7O2S.
What is the molecular weight of 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 451.18 g/mol.
Where can I buy 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(benzyl(methyl)amino)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.