7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 189149-72-2) is a chemical compound with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione
Also Known As: VU0607876-1, 7-ethyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione, 2,5-Cyclohexadien-1-one,3-methyl-4,4-diphenyl, 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione, F3260-0616
| Molecular Formula | C16H16N4O3S |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.0943 |
| Heavy Atoms | 24 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 189149-72-2 |
|---|---|
| SMILES | CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C |
| InChIKey | JAAMADRFZMWEDR-UHFFFAOYSA-N |
Product Overview
7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 189149-72-2), with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol. IUPAC: 7-ethyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 5 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-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione is 189149-72-2.
What is the molecular formula of 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione is C16H16N4O3S.
What is the molecular weight of 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione is 344.09 g/mol.
Where can I buy 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-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 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.