TL;DR: 9H-Purine, 6-ethenyl-9-(phenylmethyl)- (CAS 160516-02-9) is a chemical compound with molecular formula C14H12N4 and molecular weight 236.1062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-benzyl-6-ethenylpurine
Also Known As: 9-Benzyl-6-vinyl-9H-purine, 9-benzyl-6-ethenyl-9H-purine, 9-benzyl-6-ethenylpurine, 9-benzyl-6-vinyl-purine, 6-Vinyl-9-benzyl-9H-purine
| Molecular Formula | C14H12N4 |
| Molecular Weight | 236.1062 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.1062 Da |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
| SMILES | C=CC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3 |
| InChIKey | JUMJYGSRSKEJCW-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine, 6-ethenyl-9-(phenylmethyl)-. With a topological polar surface area (TPSA) of 43.6 Ų, 9H-Purine, 6-ethenyl-9-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Purine, 6-ethenyl-9-(phenylmethyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9H-Purine, 6-ethenyl-9-(phenylmethyl)- is 160516-02-9.
The molecular formula of 9H-Purine, 6-ethenyl-9-(phenylmethyl)- is C14H12N4.
The molecular weight of 9H-Purine, 6-ethenyl-9-(phenylmethyl)- is 236.1062 g/mol.
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