TL;DR: 8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 374920-16-8) is a chemical compound with molecular formula C22H21ClN6O2 and molecular weight 436.14145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: 8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione, 8-[(E)-2-[(2-chlorophenyl)methylidene]hydrazin-1-yl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, (E)-8-(2-(2-chlorobenzylidene)hydrazinyl)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
| Molecular Formula | C22H21ClN6O2 |
| Molecular Weight | 436.14145 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.14145 Da |
| Heavy Atoms | 31 |
| Complexity | 697.0 |
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2N/N=C/C4=CC=CC=C4Cl)N(C(=O)N(C3=O)C)C |
| InChIKey | PGLGIXNBVVYKON-WYMPLXKRSA-N |
The XLogP value of 4.1 indicates that 8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-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.
The CAS number of 8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is 374920-16-8.
The molecular formula of 8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is C22H21ClN6O2.
The molecular weight of 8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is 436.14145 g/mol.
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