TL;DR: 9H-Purin-6-amine, 2-chloro-9-((4-chlorophenyl)methyl)-N,N-dimethyl- (CAS 115204-54-1) is a chemical compound with molecular formula C14H13Cl2N5 and molecular weight 321.0548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-9-[(4-chlorophenyl)methyl]-N,N-dimethylpurin-6-amine
Also Known As: 2-Chloro-9-(4-chlorobenzyl)-N,N-dimethyl-9H-purin-6-amine, 1H-1,2,4-Triazole,1-[(4-methoxyphenyl)methyl], 9H-Purin-6-amine, 2-chloro-9-((4-chlorophenyl)methyl)-N,N-dimethyl-, 2-CHLORO-9-[(4-CHLOROPHENYL)METHYL]-N,N-DIMETHYL-9H-PURIN-6-AMINE, 2-chloro-9-[(4-chlorophenyl)methyl]-N,N-dimethylpurin-6-amine
| Molecular Formula | C14H13Cl2N5 |
| Molecular Weight | 321.0548 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 46.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0548 Da |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
| SMILES | CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)Cl)Cl |
| InChIKey | VBYFAOXBMSIIDE-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 9H-Purin-6-amine, 2-chloro-9-((4-chlorophenyl)methyl)-N,N-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.8 Ų, 9H-Purin-6-amine, 2-chloro-9-((4-chlorophenyl)methyl)-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Purin-6-amine, 2-chloro-9-((4-chlorophenyl)methyl)-N,N-dimethyl- has 0 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 9H-Purin-6-amine, 2-chloro-9-((4-chlorophenyl)methyl)-N,N-dimethyl- is 115204-54-1.
The molecular formula of 9H-Purin-6-amine, 2-chloro-9-((4-chlorophenyl)methyl)-N,N-dimethyl- is C14H13Cl2N5.
The molecular weight of 9H-Purin-6-amine, 2-chloro-9-((4-chlorophenyl)methyl)-N,N-dimethyl- is 321.0548 g/mol.
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