TL;DR: 2-Propen-1-ol, 2-((1-(6-amino-9H-purin-9-yl)ethenyl)oxy)- (CAS 104532-19-6) is a chemical compound with molecular formula C10H11N5O2 and molecular weight 233.09128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(6-aminopurin-9-yl)ethenoxy]prop-2-en-1-ol
Also Known As: 2-Propen-1-ol, 2-((1-(6-amino-9H-purin-9-yl)ethenyl)oxy)-, 2-[1-(6-aminopurin-9-yl)ethenoxy]prop-2-en-1-ol, 2-[1-(6-aminopurin-9-yl)vinyloxy]prop-2-en-1-ol, 2-{[1-(6-amino-9H-purin-9-yl)ethenyl]oxy}prop-2-en-1-ol, 2-{[1-(6-Amino-9H-purin-9-yl)ethen-1-yl]oxy}prop-2-en-1-ol
| Molecular Formula | C10H11N5O2 |
| Molecular Weight | 233.09128 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.09128 Da |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
| SMILES | C=C(CO)OC(=C)N1C=NC2=C(N=CN=C21)N |
| InChIKey | NDJGPRHORXYKSW-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-ol, 2-((1-(6-amino-9H-purin-9-yl)ethenyl)oxy)-. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propen-1-ol, 2-((1-(6-amino-9H-purin-9-yl)ethenyl)oxy)-. Following Lipinski's Rule of Five, 2-Propen-1-ol, 2-((1-(6-amino-9H-purin-9-yl)ethenyl)oxy)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propen-1-ol, 2-((1-(6-amino-9H-purin-9-yl)ethenyl)oxy)- is 104532-19-6.
The molecular formula of 2-Propen-1-ol, 2-((1-(6-amino-9H-purin-9-yl)ethenyl)oxy)- is C10H11N5O2.
The molecular weight of 2-Propen-1-ol, 2-((1-(6-amino-9H-purin-9-yl)ethenyl)oxy)- is 233.09128 g/mol.
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