TL;DR: 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione (CAS 1322295-11-3) is a chemical compound with molecular formula C22H29BrN6O3 and molecular weight 504.14844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione
Also Known As: 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione, 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-octyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{[(1Z)-2-(5-bromo-2-methoxyphenyl)-1-azavinyl]amino}-3-methyl-7-octyl-1,3,7- trihydropurine-2,6-dione, 8-{[(1Z)-2-(5-Bromo-2-methoxyphenyl)-1-azavinyl]amino}-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C22H29BrN6O3 |
| Molecular Weight | 504.14844 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 504.14844 Da |
| Heavy Atoms | 32 |
| Complexity | 666.0 |
| SMILES | CCCCCCCCN1C2=C(N=C1N/N=C\C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C |
| InChIKey | SYQYLVKLFPFKMV-OYKKKHCWSA-N |
The XLogP value of 5.3 indicates that 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione is 1322295-11-3.
The molecular formula of 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione is C22H29BrN6O3.
The molecular weight of 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione is 504.14844 g/mol.
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