Adenosine, N-((4-nitrophenyl)methyl)-
TL;DR: Adenosine, N-((4-nitrophenyl)methyl)- (CAS 40297-54-9) is a chemical compound with molecular formula C17H18N6O6 and molecular weight 402.12878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]oxolane-3,4-diol
Also Known As: N6-(p-Nitrobenzyl)adenosine, n-(4-nitrobenzyl)adenosine, N-p-nitrobenzyladenosine, N(sup 6)-(p-Nitrobenzyl)adenosine, N6-(4-Nitrobenzyl)adenosine
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H18N6O6 |
| Molecular Weight | 402.12878 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.12878 Da |
| Heavy Atoms | 29 |
| Complexity | 573.0 |
| SMILES | C1=CC(=CC=C1CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-] |
| InChIKey | VAQMNFPQRLLRMG-LSCFUAHRSA-N |
Chemical Property Profile of Adenosine, N-((4-nitrophenyl)methyl)-
Property Insights of Adenosine, N-((4-nitrophenyl)methyl)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adenosine, N-((4-nitrophenyl)methyl)-. The TPSA of 171.0 Ų indicates high polarity, suggesting Adenosine, N-((4-nitrophenyl)methyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine, N-((4-nitrophenyl)methyl)- has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Adenosine, N-((4-nitrophenyl)methyl)-?
The CAS number of Adenosine, N-((4-nitrophenyl)methyl)- is 40297-54-9.
What is the molecular formula of Adenosine, N-((4-nitrophenyl)methyl)-?
The molecular formula of Adenosine, N-((4-nitrophenyl)methyl)- is C17H18N6O6.
What is the molecular weight of Adenosine, N-((4-nitrophenyl)methyl)-?
The molecular weight of Adenosine, N-((4-nitrophenyl)methyl)- is 402.12878 g/mol.
Where can I buy Adenosine, N-((4-nitrophenyl)methyl)-?
You can request a quote for Adenosine, N-((4-nitrophenyl)methyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adenosine, N-((4-nitrophenyl)methyl)-?
Yes, CoreyChem provides custom synthesis services for Adenosine, N-((4-nitrophenyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.