Diethyl (1-cyanoethyl)phosphonate
TL;DR: Diethyl (1-cyanoethyl)phosphonate (CAS 29868-25-5) is a chemical compound with molecular formula C7H14NO3P and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylpropanenitrile
Also Known As: Diethyl (1-cyanoethyl)phosphonate, diethyl(1-cyanoethyl)phosphonate, 2-diethoxyphosphorylpropanenitrile, diethyl 1-cyanoethylphosphonate, 2-(diethylphosphono)propionitrile
| Molecular Formula | C7H14NO3P |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.07114 |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 29868-25-5 |
|---|---|
| SMILES | CCOP(=O)(C(C)C#N)OCC |
| InChIKey | UMLWEPGSWQNXQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (1-cyanoethyl)phosphonate (CAS 29868-25-5), with molecular formula C7H14NO3P and molecular weight 191.07 g/mol. IUPAC: 2-diethoxyphosphorylpropanenitrile.
Chemical Property Profile of Diethyl (1-cyanoethyl)phosphonate
Property Insights of Diethyl (1-cyanoethyl)phosphonate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (1-cyanoethyl)phosphonate. With a topological polar surface area (TPSA) of 59.3 Ų, Diethyl (1-cyanoethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (1-cyanoethyl)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
Frequently Asked Questions
What is the CAS number of Diethyl (1-cyanoethyl)phosphonate?
The CAS number of Diethyl (1-cyanoethyl)phosphonate is 29868-25-5.
What is the molecular formula of Diethyl (1-cyanoethyl)phosphonate?
The molecular formula of Diethyl (1-cyanoethyl)phosphonate is C7H14NO3P.
What is the molecular weight of Diethyl (1-cyanoethyl)phosphonate?
The molecular weight of Diethyl (1-cyanoethyl)phosphonate is 191.07 g/mol.
Where can I buy Diethyl (1-cyanoethyl)phosphonate?
You can request a quote for Diethyl (1-cyanoethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (1-cyanoethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (1-cyanoethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.