Diethyl (2-cyanoethyl)phosphonate
TL;DR: Diethyl (2-cyanoethyl)phosphonate (CAS 10123-62-3) 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.
3-diethoxyphosphorylpropanenitrile
Also Known As: Diethyl (2-cyanoethyl)phosphonate, 3-diethoxyphosphorylpropanenitrile, Diethyl 2-cyanoethanephosphonate, diethyl 2-cyanoethylphosphonate, diethyl cyanoethylphosphonate
| Molecular Formula | C7H14NO3P |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 191.07114 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 10123-62-3 |
|---|---|
| SMILES | CCOP(=O)(CCC#N)OCC |
| InChIKey | LDOZIDLMPNCNDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (2-cyanoethyl)phosphonate (CAS 10123-62-3), with molecular formula C7H14NO3P and molecular weight 191.07 g/mol. IUPAC: 3-diethoxyphosphorylpropanenitrile.
Chemical Property Profile of Diethyl (2-cyanoethyl)phosphonate
Property Insights of Diethyl (2-cyanoethyl)phosphonate
The XLogP value of -0.1 indicates that Diethyl (2-cyanoethyl)phosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.3 Ų, Diethyl (2-cyanoethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (2-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 (2-cyanoethyl)phosphonate?
The CAS number of Diethyl (2-cyanoethyl)phosphonate is 10123-62-3.
What is the molecular formula of Diethyl (2-cyanoethyl)phosphonate?
The molecular formula of Diethyl (2-cyanoethyl)phosphonate is C7H14NO3P.
What is the molecular weight of Diethyl (2-cyanoethyl)phosphonate?
The molecular weight of Diethyl (2-cyanoethyl)phosphonate is 191.07 g/mol.
Where can I buy Diethyl (2-cyanoethyl)phosphonate?
You can request a quote for Diethyl (2-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 (2-cyanoethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-cyanoethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.