(E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
TL;DR: (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile (CAS 4181-89-9) is a chemical compound with molecular formula C13H7Cl2NS and molecular weight 278.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
Also Known As: (E)-3-(2,4-Dichlorophenyl)-2-(2-thienyl)acrylonitrile, 3-(2,4-dichlorophenyl)-2-(thiophen-2-yl)prop-2-enenitrile, (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile, (2E)-3-(2,4-dichlorophenyl)-2-(thiophen-2-yl)prop-2-enenitrile
| Molecular Formula | C13H7Cl2NS |
|---|---|
| Molecular Weight | 278.97 g/mol |
| LogP | 5.11908 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.96762 |
| Heavy Atoms | 17 |
| Complexity | 594.3772 |
Chemical Identifiers
| CAS Number | 4181-89-9 |
|---|---|
| SMILES | C1=CSC(=C1)/C(=C/C2=C(C=C(C=C2)Cl)Cl)/C#N |
Product Overview
(E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile (CAS 4181-89-9), with molecular formula C13H7Cl2NS and molecular weight 278.97 g/mol. IUPAC: (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
Property Insights of (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
The XLogP value of 5.11908 indicates that (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile?
The CAS number of (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile is 4181-89-9.
What is the molecular formula of (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile?
The molecular formula of (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile is C13H7Cl2NS.
What is the molecular weight of (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile?
The molecular weight of (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile is 278.97 g/mol.
Where can I buy (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile?
You can request a quote for (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.