Purine, 6-((o-nitrobenzyl)thio)-
TL;DR: Purine, 6-((o-nitrobenzyl)thio)- (CAS 5069-63-6) is a chemical compound with molecular formula C12H9N5O2S and molecular weight 287.0477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(2-nitrophenyl)methylsulfanyl]-7H-purine
Also Known As: Purine, 6-(o-nitrobenzylthio)-, 6-((o-Nitrobenzyl)thio)purine, AX 25, Purine, 6-((o-nitrobenzyl)thio)-, Purine, 6-[(o-nitrobenzyl)thio]-
Technical Specifications
| Molecular Formula | C12H9N5O2S |
| Molecular Weight | 287.0477 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0477 Da |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
| SMILES | C1=CC=C(C(=C1)CSC2=NC=NC3=C2NC=N3)[N+](=O)[O-] |
| InChIKey | PKBWMRARESWCBX-UHFFFAOYSA-N |
Chemical Property Profile of Purine, 6-((o-nitrobenzyl)thio)-
Property Insights of Purine, 6-((o-nitrobenzyl)thio)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purine, 6-((o-nitrobenzyl)thio)-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Purine, 6-((o-nitrobenzyl)thio)-. Following Lipinski's Rule of Five, Purine, 6-((o-nitrobenzyl)thio)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Purine, 6-((o-nitrobenzyl)thio)-?
The CAS number of Purine, 6-((o-nitrobenzyl)thio)- is 5069-63-6.
What is the molecular formula of Purine, 6-((o-nitrobenzyl)thio)-?
The molecular formula of Purine, 6-((o-nitrobenzyl)thio)- is C12H9N5O2S.
What is the molecular weight of Purine, 6-((o-nitrobenzyl)thio)-?
The molecular weight of Purine, 6-((o-nitrobenzyl)thio)- is 287.0477 g/mol.
Where can I buy Purine, 6-((o-nitrobenzyl)thio)-?
You can request a quote for Purine, 6-((o-nitrobenzyl)thio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Purine, 6-((o-nitrobenzyl)thio)-?
Yes, CoreyChem provides custom synthesis services for Purine, 6-((o-nitrobenzyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.