9-Methyladenine 1-oxide
TL;DR: 9-Methyladenine 1-oxide (CAS 10184-51-7) is a chemical compound with molecular formula C6H7N5O and molecular weight 165.06506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxy-9-methylpurin-6-imine
Also Known As: 9-Methyladenine 1-oxide, 9-Methyladenine-1-N-oxide, 9-Methyladenine 1-N-oxide, Adenine-N1-oxide, 9-methyl, Adenine, 9-methyl-, 1-oxide
Technical Specifications
| Molecular Formula | C6H7N5O |
| Molecular Weight | 165.06506 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 77.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.06506 Da |
| Heavy Atoms | 12 |
| Complexity | 240.0 |
| SMILES | CN1C=NC2=C1N=CN(C2=N)O |
| InChIKey | NZIJGVZBHGNNNN-UHFFFAOYSA-N |
Chemical Property Profile of 9-Methyladenine 1-oxide
Property Insights of 9-Methyladenine 1-oxide
The XLogP value of -0.8 indicates that 9-Methyladenine 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Methyladenine 1-oxide. Following Lipinski's Rule of Five, 9-Methyladenine 1-oxide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9-Methyladenine 1-oxide?
The CAS number of 9-Methyladenine 1-oxide is 10184-51-7.
What is the molecular formula of 9-Methyladenine 1-oxide?
The molecular formula of 9-Methyladenine 1-oxide is C6H7N5O.
What is the molecular weight of 9-Methyladenine 1-oxide?
The molecular weight of 9-Methyladenine 1-oxide is 165.06506 g/mol.
Where can I buy 9-Methyladenine 1-oxide?
You can request a quote for 9-Methyladenine 1-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Methyladenine 1-oxide?
Yes, CoreyChem provides custom synthesis services for 9-Methyladenine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.