TL;DR: Acetamide, N-(3-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)phenyl)- (CAS 125827-88-5) is a chemical compound with molecular formula C20H17ClN6O and molecular weight 392.11523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl]acetamide
Also Known As: N-(3-((9-Benzyl-2-chloro-9H-purin-6-yl)amino)phenyl)acetamide, N-{3-[(9-benzyl-2-chloro-9H-purin-6-yl)amino]phenyl}acetamide, N-[3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl]acetamide, Acetamide, N-(3-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)phenyl)-, Acetamide,N-[3-[[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]amino]phenyl]-
| Molecular Formula | C20H17ClN6O |
| Molecular Weight | 392.11523 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.11523 Da |
| Heavy Atoms | 28 |
| Complexity | 531.0 |
| SMILES | CC(=O)NC1=CC=CC(=C1)NC2=C3C(=NC(=N2)Cl)N(C=N3)CC4=CC=CC=C4 |
| InChIKey | CGTISFSIFVAIOQ-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Acetamide, N-(3-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(3-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)phenyl)-. Following Lipinski's Rule of Five, Acetamide, N-(3-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)phenyl)- has 2 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 Acetamide, N-(3-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)phenyl)- is 125827-88-5.
The molecular formula of Acetamide, N-(3-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)phenyl)- is C20H17ClN6O.
The molecular weight of Acetamide, N-(3-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)phenyl)- is 392.11523 g/mol.
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