Diethyl (4-cyanophenyl)phosphonate
TL;DR: Diethyl (4-cyanophenyl)phosphonate (CAS 150805-64-4) is a chemical compound with molecular formula C11H14NO3P and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-diethoxyphosphorylbenzonitrile
Also Known As: Diethyl (4-cyanophenyl)phosphonate, 4-diethoxyphosphorylbenzonitrile, Diethyl-(4-cyanophenyl)phosphonate, Diethyl(4-cyanophenyl)phosphonate, (4-Cyano-phenyl)-phosphonic acid diethyl ester
| Molecular Formula | C11H14NO3P |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 2.44968 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.07114 |
| Heavy Atoms | 16 |
| Complexity | 411.85098 |
Chemical Identifiers
| CAS Number | 150805-64-4 |
|---|---|
| SMILES | CCOP(=O)(C1=CC=C(C=C1)C#N)OCC |
Product Overview
Diethyl (4-cyanophenyl)phosphonate (CAS 150805-64-4), with molecular formula C11H14NO3P and molecular weight 239.07 g/mol. IUPAC: 4-diethoxyphosphorylbenzonitrile.
Chemical Property Profile of Diethyl (4-cyanophenyl)phosphonate
Property Insights of Diethyl (4-cyanophenyl)phosphonate
The XLogP value of 2.44968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (4-cyanophenyl)phosphonate. With a topological polar surface area (TPSA) of 59.32 Ų, Diethyl (4-cyanophenyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (4-cyanophenyl)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 (4-cyanophenyl)phosphonate?
The CAS number of Diethyl (4-cyanophenyl)phosphonate is 150805-64-4.
What is the molecular formula of Diethyl (4-cyanophenyl)phosphonate?
The molecular formula of Diethyl (4-cyanophenyl)phosphonate is C11H14NO3P.
What is the molecular weight of Diethyl (4-cyanophenyl)phosphonate?
The molecular weight of Diethyl (4-cyanophenyl)phosphonate is 239.07 g/mol.
Where can I buy Diethyl (4-cyanophenyl)phosphonate?
You can request a quote for Diethyl (4-cyanophenyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (4-cyanophenyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (4-cyanophenyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.