3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)-
TL;DR: 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)- (CAS 18991-39-4) is a chemical compound with molecular formula C13H16NO3P and molecular weight 265.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-diethoxyphosphoryl-3-phenylprop-2-enenitrile
Also Known As: Phosphonic acid, diethyl ester, diethyl(1-cyano-2-phenylethenyl)phosphonate, Diethyl 1-cyano-2-phenylvinylphosphonate, J2.416.781J, (alpha-Cyanostyryl)phosphonic acid diethyl ester
| Molecular Formula | C13H16NO3P |
|---|---|
| Molecular Weight | 265.09 g/mol |
| LogP | 3.81718 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.0868 |
| Heavy Atoms | 18 |
| Complexity | 480.70786 |
Chemical Identifiers
| CAS Number | 18991-39-4 |
|---|---|
| SMILES | CCOP(=O)(/C(=C\C1=CC=CC=C1)/C#N)OCC |
Product Overview
3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)- (CAS 18991-39-4), with molecular formula C13H16NO3P and molecular weight 265.09 g/mol. IUPAC: (Z)-2-diethoxyphosphoryl-3-phenylprop-2-enenitrile.
Chemical Property Profile of 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)-
Property Insights of 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)-
The XLogP value of 3.81718 indicates that 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)- 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 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)-?
The CAS number of 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)- is 18991-39-4.
What is the molecular formula of 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)-?
The molecular formula of 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)- is C13H16NO3P.
What is the molecular weight of 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)-?
The molecular weight of 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)- is 265.09 g/mol.
Where can I buy 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)-?
You can request a quote for 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.