![2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile structure](/static/products/1889/18896-69-0.webp)
2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
TL;DR: 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile (CAS 18896-69-0) is a chemical compound with molecular formula C15H21N2O3P and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Also Known As: 2-diethoxyphosphoryl-3-(4-dimethylaminophenyl)prop-2-enenitrile, (Z)-2-diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-e, Phosphonic acid, [1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]-, diethyl ester
| Molecular Formula | C15H21N2O3P |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.12897 |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 18896-69-0 |
|---|---|
| SMILES | CCOP(=O)(C(=CC1=CC=C(C=C1)N(C)C)C#N)OCC |
| InChIKey | CBROYSPZMNALMV-UHFFFAOYSA-N |
Product Overview
2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile (CAS 18896-69-0), with molecular formula C15H21N2O3P and molecular weight 308.13 g/mol. IUPAC: 2-diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Property Insights of 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 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 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The CAS number of 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is 18896-69-0.
What is the molecular formula of 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The molecular formula of 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is C15H21N2O3P.
What is the molecular weight of 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The molecular weight of 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is 308.13 g/mol.
Where can I buy 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
You can request a quote for 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.