Diethyl (cyanomethyl)phosphonate
TL;DR: Diethyl (cyanomethyl)phosphonate (CAS 2537-48-6) is a chemical compound with molecular formula C6H12NO3P and molecular weight 177.05548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-diethoxyphosphorylacetonitrile
Also Known As: Diethyl cyanomethylphosphonate, Diethyl (cyanomethyl)phosphonate, 2-diethoxyphosphorylacetonitrile, diethylcyanomethylphosphonate, (Diethylphosphono)acetonitrile
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12NO3P |
| Molecular Weight | 177.05548 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.05548 Da |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
| SMILES | CCOP(=O)(CC#N)OCC |
| InChIKey | KWMBADTWRIGGGG-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl (cyanomethyl)phosphonate
Property Insights of Diethyl (cyanomethyl)phosphonate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (cyanomethyl)phosphonate. With a topological polar surface area (TPSA) of 59.3 Ų, Diethyl (cyanomethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (cyanomethyl)phosphonate has 0 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 Diethyl (cyanomethyl)phosphonate?
The CAS number of Diethyl (cyanomethyl)phosphonate is 2537-48-6.
What is the molecular formula of Diethyl (cyanomethyl)phosphonate?
The molecular formula of Diethyl (cyanomethyl)phosphonate is C6H12NO3P.
What is the molecular weight of Diethyl (cyanomethyl)phosphonate?
The molecular weight of Diethyl (cyanomethyl)phosphonate is 177.05548 g/mol.
Where can I buy Diethyl (cyanomethyl)phosphonate?
You can request a quote for Diethyl (cyanomethyl)phosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl (cyanomethyl)phosphonate?
Yes, CoreyChem provides custom synthesis services for Diethyl (cyanomethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.