3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
TL;DR: 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile (CAS 37034-01-8) 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.
3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
Also Known As: 3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile, 3-(2,4-dichlorophenyl)-2-(thiophen-2-yl)prop-2-enenitrile
| Molecular Formula | C13H7Cl2NS |
|---|---|
| Molecular Weight | 278.97 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.96762 |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 37034-01-8 |
|---|---|
| SMILES | C1=CSC(=C1)C(=CC2=C(C=C(C=C2)Cl)Cl)C#N |
| InChIKey | AFQZOFRLHFTECH-UHFFFAOYSA-N |
Product Overview
3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile (CAS 37034-01-8), with molecular formula C13H7Cl2NS and molecular weight 278.97 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
Property Insights of 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
The XLogP value of 4.7 indicates that 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 52.0 Ų, 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, 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile has 0 hydrogen bond donor(s) and 2 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-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile?
The CAS number of 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile is 37034-01-8.
What is the molecular formula of 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile?
The molecular formula of 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile is C13H7Cl2NS.
What is the molecular weight of 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile?
The molecular weight of 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile is 278.97 g/mol.
Where can I buy 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile?
You can request a quote for 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 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.