9-(2-(Phosphonomethoxy)ethoxy)adenine
TL;DR: 9-(2-(Phosphonomethoxy)ethoxy)adenine (CAS 124532-94-1) is a chemical compound with molecular formula C8H12N5O5P and molecular weight 289.05762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-aminopurin-9-yl)oxyethoxymethylphosphonic acid
Also Known As: BRL 47923, 9-(2-(Phosphonomethoxy)ethoxy)adenine, 9-[2-(Phosphonomethoxy)ethoxy]adenine, KST-1A0935, 2-(6-aminopurin-9-yl)oxyethoxymethylphosphonic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H12N5O5P |
| Molecular Weight | 289.05762 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.05762 Da |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)OCCOCP(=O)(O)O)N |
| InChIKey | HRVFEVBDZIXIGY-UHFFFAOYSA-N |
Chemical Property Profile of 9-(2-(Phosphonomethoxy)ethoxy)adenine
Property Insights of 9-(2-(Phosphonomethoxy)ethoxy)adenine
The XLogP value of -1.5 indicates that 9-(2-(Phosphonomethoxy)ethoxy)adenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 9-(2-(Phosphonomethoxy)ethoxy)adenine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(2-(Phosphonomethoxy)ethoxy)adenine has 3 hydrogen bond donor(s) and 9 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-(2-(Phosphonomethoxy)ethoxy)adenine?
The CAS number of 9-(2-(Phosphonomethoxy)ethoxy)adenine is 124532-94-1.
What is the molecular formula of 9-(2-(Phosphonomethoxy)ethoxy)adenine?
The molecular formula of 9-(2-(Phosphonomethoxy)ethoxy)adenine is C8H12N5O5P.
What is the molecular weight of 9-(2-(Phosphonomethoxy)ethoxy)adenine?
The molecular weight of 9-(2-(Phosphonomethoxy)ethoxy)adenine is 289.05762 g/mol.
Where can I buy 9-(2-(Phosphonomethoxy)ethoxy)adenine?
You can request a quote for 9-(2-(Phosphonomethoxy)ethoxy)adenine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-(2-(Phosphonomethoxy)ethoxy)adenine?
Yes, CoreyChem provides custom synthesis services for 9-(2-(Phosphonomethoxy)ethoxy)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.