![1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione structure](/static/products/897/897453-59-7.png)
1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione
TL;DR: 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione (CAS 897453-59-7) is a chemical compound with molecular formula C16H15F3N4O2S and molecular weight 384.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,9-trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione
Also Known As: F2599-0096, 1,3,9-trimethyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2,3,6,9-tetrahydro-1H-purine-2,6-dione, 1,3,9-trimethyl-8-((3-(trifluoromethyl)benzyl)thio)-1H-purine-2,6(3H,9H)-dione, 1,3,9-trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione
| Molecular Formula | C16H15F3N4O2S |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 2.2818 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.0868 |
| Heavy Atoms | 26 |
| Complexity | 1111.5962 |
Chemical Identifiers
| CAS Number | 897453-59-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione (CAS 897453-59-7), with molecular formula C16H15F3N4O2S and molecular weight 384.09 g/mol. IUPAC: 1,3,9-trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione.
Chemical Property Profile of 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione
Property Insights of 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione
The XLogP value of 2.2818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione. Following Lipinski's Rule of Five, 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-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 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione?
The CAS number of 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione is 897453-59-7.
What is the molecular formula of 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione?
The molecular formula of 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione is C16H15F3N4O2S.
What is the molecular weight of 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione?
The molecular weight of 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione is 384.09 g/mol.
Where can I buy 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione?
You can request a quote for 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]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 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,9-Trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.