![1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione structure](/static/products/305/305863-82-5.png)
1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
TL;DR: 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione (CAS 305863-82-5) is a chemical compound with molecular formula C21H19F3N6O2 and molecular weight 444.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
Also Known As: 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione, 1,3-dimethyl-8-((pyridin-2-ylmethyl)amino)-7-(3-(trifluoromethyl)benzyl)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-8-[(pyridin-2-ylmethyl)amino]-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H19F3N6O2 |
|---|---|
| Molecular Weight | 444.15 g/mol |
| LogP | 2.5079 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.15216 |
| Heavy Atoms | 32 |
| Complexity | 1403.5555 |
Chemical Identifiers
| CAS Number | 305863-82-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=N3)CC4=CC(=CC=C4)C(F)(F)F |
Product Overview
1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione (CAS 305863-82-5), with molecular formula C21H19F3N6O2 and molecular weight 444.15 g/mol. IUPAC: 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
Property Insights of 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
The XLogP value of 2.5079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-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 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione?
The CAS number of 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione is 305863-82-5.
What is the molecular formula of 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione?
The molecular formula of 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione is C21H19F3N6O2.
What is the molecular weight of 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione?
The molecular weight of 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione is 444.15 g/mol.
Where can I buy 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione?
You can request a quote for 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-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-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.