![8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/3308/330827-80-0.webp)
8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 330827-80-0) is a chemical compound with molecular formula C20H18F3N5O3 and molecular weight 433.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
Also Known As: 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione, 8-((furan-2-ylmethyl)amino)-1,3-dimethyl-7-(3-(trifluoromethyl)benzyl)-1H-purine-2,6(3H,7H)-dione, 8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione, 8-[(2-Furanylmethyl)amino]-3,7-dihydro-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]-1H-purine-2,6-dione
| Molecular Formula | C20H18F3N5O3 |
|---|---|
| Molecular Weight | 433.14 g/mol |
| LogP | 2.7059 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.13617 |
| Heavy Atoms | 31 |
| Complexity | 1363.9528 |
Chemical Identifiers
| CAS Number | 330827-80-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=CC(=CC=C4)C(F)(F)F |
Product Overview
8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 330827-80-0), with molecular formula C20H18F3N5O3 and molecular weight 433.14 g/mol. IUPAC: 8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione.
Chemical Property Profile of 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.7059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-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 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione is 330827-80-0.
What is the molecular formula of 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione is C20H18F3N5O3.
What is the molecular weight of 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione is 433.14 g/mol.
Where can I buy 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(furan-2-ylmethyl)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-[(furan-2-ylmethyl)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-[(furan-2-ylmethyl)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.