TL;DR: 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine (CAS 1189195-52-5) is a chemical compound with molecular formula C13H11N5 and molecular weight 237.10144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-2-phenylethenyl]-7H-purin-6-amine
Also Known As: (E)-8-Styryl-7H-purin-6-amine, 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine, 9J-018, 8-[(E)-2-phenylethenyl]-7H-purin-6-amine, 8-[(E)-2-phenylethenyl]-9H-purin-6-amine
| Molecular Formula | C13H11N5 |
| Molecular Weight | 237.10144 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.10144 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C2=NC3=NC=NC(=C3N2)N |
| InChIKey | CGPWHCJQHWCRNO-VOTSOKGWSA-N |
The XLogP value of 3.0 indicates that 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine. Following Lipinski's Rule of Five, 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine is 1189195-52-5.
The molecular formula of 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine is C13H11N5.
The molecular weight of 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine is 237.10144 g/mol.
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