![7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/6723/672332-47-7.webp)
7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione (CAS 672332-47-7) is a chemical compound with molecular formula C18H23N7O3S and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione, 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione, 7-[2-(4,6-dimethylpyrimidin-2-ylthio)ethyl]-3-methyl-8-morpholin-4-yl-1,3,7-tr ihydropurine-2,6-dione, 7-{2-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]ETHYL}-3-METHYL-8-(MORPHOLIN-4-YL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C18H23N7O3S |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 0.45904 |
| Topological Polar Surface Area | 110.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1583 |
| Heavy Atoms | 29 |
| Complexity | 1140.4468 |
Chemical Identifiers
| CAS Number | 672332-47-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C)C |
Product Overview
7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione (CAS 672332-47-7), with molecular formula C18H23N7O3S and molecular weight 417.16 g/mol. IUPAC: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.45904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 110.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 8 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 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione is 672332-47-7.
What is the molecular formula of 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione is C18H23N7O3S.
What is the molecular weight of 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione is 417.16 g/mol.
Where can I buy 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-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 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-{2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl}-3-methyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.