![8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/305/305863-85-8.png)
8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 305863-85-8) is a chemical compound with molecular formula C18H20F3N5O3 and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-methoxyethylamino)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
Also Known As: 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione, 8-(2-methoxyethylamino)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione, 8-(2-methoxyethylamino)-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]xanthine, 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(3-(trifluoromethyl)benzyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H20F3N5O3 |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.15182 |
| Heavy Atoms | 29 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 305863-85-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOC)CC3=CC(=CC=C3)C(F)(F)F |
| InChIKey | KBHLTBFWHFLTDR-UHFFFAOYSA-N |
Product Overview
8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 305863-85-8), with molecular formula C18H20F3N5O3 and molecular weight 411.15 g/mol. IUPAC: 8-(2-methoxyethylamino)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione.
Chemical Property Profile of 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 8 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-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione is 305863-85-8.
What is the molecular formula of 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione is C18H20F3N5O3.
What is the molecular weight of 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione is 411.15 g/mol.
Where can I buy 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-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 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.