![Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate structure](/static/products/1403/140373-79-1.webp)
Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate
TL;DR: Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate (CAS 140373-79-1) is a chemical compound with molecular formula C9H14NO5P and molecular weight 247.06096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-diethoxyphosphoryl-2-(1,3-dioxolan-2-ylidene)acetonitrile
Also Known As: diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate, Diethyl P-(cyano-1,3-dioxolan-2-ylidenemethyl)phosphonate, 2-diethoxyphosphoryl-2-(1,3-dioxolan-2-ylidene)acetonitrile, phosphonic acid, (cyano-1,3-dioxolan-2-ylidenemethyl)-, diethyl ester
Technical Specifications
| Molecular Formula | C9H14NO5P |
| Molecular Weight | 247.06096 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.06096 Da |
| Heavy Atoms | 16 |
| Complexity | 351.0 |
| SMILES | CCOP(=O)(C(=C1OCCO1)C#N)OCC |
| InChIKey | XEAGRMSZTGWSGP-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate
Property Insights of Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate. Following Lipinski's Rule of Five, Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate has 0 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 Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate?
The CAS number of Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate is 140373-79-1.
What is the molecular formula of Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate?
The molecular formula of Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate is C9H14NO5P.
What is the molecular weight of Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate?
The molecular weight of Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate is 247.06096 g/mol.
Where can I buy Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate?
You can request a quote for Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate?
Yes, CoreyChem provides custom synthesis services for Diethyl [cyano(1,3-dioxolan-2-ylidene)methyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.