TL;DR: 8-[2-(3-fluorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione (CAS 147700-43-4) is a chemical compound with molecular formula C19H21FN4O2 and molecular weight 356.16486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[2-(3-fluorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Also Known As: (E)-8-(3-Fluorostyryl)-1,3-dipropylxanthine, 1H-Purine-2,6-dione,8-[2-(3-fluorophenyl)ethenyl]-3,7-dihydro-1,3-dipropyl-, (E)- (9CI), (E)-1,3-Dipropyl-8-(2-(3-fluorophenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3-fluorophenyl)ethenyl)-, (E)-
| Molecular Formula | C19H21FN4O2 |
| Molecular Weight | 356.16486 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.16486 Da |
| Heavy Atoms | 26 |
| Complexity | 556.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C=CC3=CC(=CC=C3)F |
| InChIKey | WKAOIIMNNQWXSP-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 8-[2-(3-fluorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[2-(3-fluorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(3-fluorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-[2-(3-fluorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione is 147700-43-4.
The molecular formula of 8-[2-(3-fluorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione is C19H21FN4O2.
The molecular weight of 8-[2-(3-fluorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione is 356.16486 g/mol.
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