2-Phosphonylmethoxyethylcytosine
TL;DR: 2-Phosphonylmethoxyethylcytosine (CAS 117087-39-5) is a chemical compound with molecular formula C7H12N3O5P and molecular weight 249.05145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethylphosphonic acid
Also Known As: PMEC, 2-Phosphonylmethoxyethylcytosine, 1-(2-(Phosphonomethoxy)ethyl)cytosine, 1-(Phosphonomethoxyethyl)-Cytosine, 1-[2-(phosphonomethoxy)ethyl]cytosine
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12N3O5P |
| Molecular Weight | 249.05145 g/mol |
| XLogP | -3.0 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.05145 Da |
| Heavy Atoms | 16 |
| Complexity | 374.0 |
| SMILES | C1=CN(C(=O)N=C1N)CCOCP(=O)(O)O |
| InChIKey | XXUKNWCJFNYLDP-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phosphonylmethoxyethylcytosine
Property Insights of 2-Phosphonylmethoxyethylcytosine
The XLogP value of -3.0 indicates that 2-Phosphonylmethoxyethylcytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phosphonylmethoxyethylcytosine. Following Lipinski's Rule of Five, 2-Phosphonylmethoxyethylcytosine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Phosphonylmethoxyethylcytosine?
The CAS number of 2-Phosphonylmethoxyethylcytosine is 117087-39-5.
What is the molecular formula of 2-Phosphonylmethoxyethylcytosine?
The molecular formula of 2-Phosphonylmethoxyethylcytosine is C7H12N3O5P.
What is the molecular weight of 2-Phosphonylmethoxyethylcytosine?
The molecular weight of 2-Phosphonylmethoxyethylcytosine is 249.05145 g/mol.
Where can I buy 2-Phosphonylmethoxyethylcytosine?
You can request a quote for 2-Phosphonylmethoxyethylcytosine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phosphonylmethoxyethylcytosine?
Yes, CoreyChem provides custom synthesis services for 2-Phosphonylmethoxyethylcytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.