TL;DR: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione (CAS 850800-97-4) is a chemical compound with molecular formula C21H16FN7O3 and molecular weight 433.12985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(4-fluorophenyl)methyl]-8-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-methylpurine-2,6-dione
Also Known As: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione, 7-(4-fluorobenzyl)-6-hydroxy-3-methyl-8-[(2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one, (Z)-7-(4-fluorobenzyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H16FN7O3 |
| Molecular Weight | 433.12985 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.12985 Da |
| Heavy Atoms | 32 |
| Complexity | 762.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N=NC3=C(NC4=CC=CC=C43)O)CC5=CC=C(C=C5)F |
| InChIKey | KUDOIBPPZIPIGP-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 7-[(4-fluorophenyl)methyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(4-fluorophenyl)methyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(4-fluorophenyl)methyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-[(4-fluorophenyl)methyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione is 850800-97-4.
The molecular formula of 7-[(4-fluorophenyl)methyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione is C21H16FN7O3.
The molecular weight of 7-[(4-fluorophenyl)methyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione is 433.12985 g/mol.
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