![1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione structure](/static/products/327/327099-40-1.png)
1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
TL;DR: 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione (CAS 327099-40-1) is a chemical compound with molecular formula C22H19F3N4O3 and molecular weight 444.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
Also Known As: 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione, 1,3-dimethyl-8-(m-tolyloxy)-7-(3-(trifluoromethyl)benzyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H19F3N4O3 |
|---|---|
| Molecular Weight | 444.14 g/mol |
| LogP | 3.60152 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.14093 |
| Heavy Atoms | 32 |
| Complexity | 1447.8065 |
Chemical Identifiers
| CAS Number | 327099-40-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=NC3=C(N2CC4=CC(=CC=C4)C(F)(F)F)C(=O)N(C(=O)N3C)C |
Product Overview
1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione (CAS 327099-40-1), with molecular formula C22H19F3N4O3 and molecular weight 444.14 g/mol. IUPAC: 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
Property Insights of 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
The XLogP value of 3.60152 indicates that 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]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-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione?
The CAS number of 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione is 327099-40-1.
What is the molecular formula of 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione?
The molecular formula of 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione is C22H19F3N4O3.
What is the molecular weight of 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione?
The molecular weight of 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione is 444.14 g/mol.
Where can I buy 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione?
You can request a quote for 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]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-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-(3-methylphenoxy)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.