![8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione structure](/static/products/897/897453-57-5.png)
8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione
TL;DR: 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione (CAS 897453-57-5) is a chemical compound with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione
Also Known As: 8-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione, 8-((2,5-dimethylbenzyl)thio)-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione, F2599-0095, 8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,3,9-trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C17H20N4O2S |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 1.87984 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.1307 |
| Heavy Atoms | 24 |
| Complexity | 1059.1085 |
Chemical Identifiers
| CAS Number | 897453-57-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C |
Product Overview
8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione (CAS 897453-57-5), with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol. IUPAC: 8-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione
Property Insights of 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione
The XLogP value of 1.87984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione has 0 hydrogen bond donor(s) and 4 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-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione?
The CAS number of 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione is 897453-57-5.
What is the molecular formula of 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione?
The molecular formula of 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione is C17H20N4O2S.
What is the molecular weight of 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione?
The molecular weight of 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione is 344.13 g/mol.
Where can I buy 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione?
You can request a quote for 8-[(2,5-Dimethylphenyl)methylsulfanyl]-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-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(2,5-Dimethylphenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.