![alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile structure](/static/products/4181/41817-87-2.webp)
alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile
TL;DR: alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile (CAS 41817-87-2) 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-(3,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
Also Known As: 3-(3,4-Dichlorophenyl)-2-(2-thienyl)acrylonitrile, 3-(3,4-dichlorophenyl)-2-(thiophen-2-yl)prop-2-enenitrile, .alpha.-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile, (E)-3-(3,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile, (2E)-3-(3,4-Dichlorophenyl)-2-(2-thienyl)-2-propenenitrile #
| 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 | 41817-87-2 |
|---|---|
| SMILES | C1=CSC(=C1)/C(=C/C2=CC(=C(C=C2)Cl)Cl)/C#N |
Product Overview
alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile (CAS 41817-87-2), with molecular formula C13H7Cl2NS and molecular weight 278.97 g/mol. IUPAC: (E)-3-(3,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile
Property Insights of alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile
The XLogP value of 5.11908 indicates that alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile 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 alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile?
The CAS number of alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile is 41817-87-2.
What is the molecular formula of alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile?
The molecular formula of alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile is C13H7Cl2NS.
What is the molecular weight of alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile?
The molecular weight of alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile is 278.97 g/mol.
Where can I buy alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile?
You can request a quote for alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-[2-Thienyl]-p-[3,4-dichlorophenyl]acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.