2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile
TL;DR: 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile (CAS 1174-08-9) is a chemical compound with molecular formula C24H30N2OS and molecular weight 394.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-propan-2-ylsulfanylphenyl)prop-2-enenitrile
Also Known As: 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile, 2-[4-(2-diethylaminoethyloxy)phenyl]-3-(4-isopropylsulfanylphenyl)prop-2-enenitrile, 2-[4-(2-diethylaminoethyloxy)phenyl]-3-(4-propan-2-ylsulfanylphenyl)prop-2-enenitrile, Benzeneacetonitrile,4-[2-(diethylamino)ethoxy]-a-[[4-[(1-methylethyl)thio]phenyl]methylene]-, hydrochloride (1:1)
| Molecular Formula | C24H30N2OS |
|---|---|
| Molecular Weight | 394.21 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 394.2079 |
| Heavy Atoms | 28 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 1174-08-9 |
|---|---|
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)C(=CC2=CC=C(C=C2)SC(C)C)C#N |
| InChIKey | KDRRJYFXQJJXRM-UHFFFAOYSA-N |
Product Overview
2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile (CAS 1174-08-9), with molecular formula C24H30N2OS and molecular weight 394.21 g/mol. IUPAC: 2-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-propan-2-ylsulfanylphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile
Property Insights of 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile
The XLogP value of 5.8 indicates that 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile. Following Lipinski's Rule of Five, 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile?
The CAS number of 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile is 1174-08-9.
What is the molecular formula of 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile?
The molecular formula of 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile is C24H30N2OS.
What is the molecular weight of 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile?
The molecular weight of 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile is 394.21 g/mol.
Where can I buy 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile?
You can request a quote for 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.