TL;DR: 7-Ethyl-8-hydrazino-3-methyl-1,3,7-trihydropurine-2,6-dione (CAS 114145-22-1) is a chemical compound with molecular formula C8H12N6O2 and molecular weight 224.10217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-ethyl-8-hydrazinyl-3-methylpurine-2,6-dione
Also Known As: BAS 00162641, 7-ethyl-8-hydrazinyl-3-methylpurine-2,6-dione, 7-Ethyl-8-hydrazino-3-methyl-3,7-dihydro-purine-2,6-dione, 7-ethyl-8-hydrazino-3-methyl-1,3,7-trihydropurine-2,6-dione, 7-ethyl-8-hydrazinyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C8H12N6O2 |
| Molecular Weight | 224.10217 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.10217 Da |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
| SMILES | CCN1C2=C(N=C1NN)N(C(=O)NC2=O)C |
| InChIKey | NQZYOAXESXKSJK-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that 7-Ethyl-8-hydrazino-3-methyl-1,3,7-trihydropurine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Ethyl-8-hydrazino-3-methyl-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 7-Ethyl-8-hydrazino-3-methyl-1,3,7-trihydropurine-2,6-dione has 3 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 7-Ethyl-8-hydrazino-3-methyl-1,3,7-trihydropurine-2,6-dione is 114145-22-1.
The molecular formula of 7-Ethyl-8-hydrazino-3-methyl-1,3,7-trihydropurine-2,6-dione is C8H12N6O2.
The molecular weight of 7-Ethyl-8-hydrazino-3-methyl-1,3,7-trihydropurine-2,6-dione is 224.10217 g/mol.
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