2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile
TL;DR: 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile (CAS 561305-84-8) is a chemical compound with molecular formula C13H7Cl2NOS and molecular weight 294.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenyl)-3-oxo-3-thiophen-2-ylpropanenitrile
Also Known As: (2-Thenoyl)(2,4-dichlorophenyl)acetonitrile, J1.921.429J, 2-(2,4-dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile, 2-thiophenepropanenitrile, a-(2,4-dichlorophenyl)-b-oxo-, 2-(2,4-dichlorophenyl)-3-oxo-3-thiophen-2-yl-propanenitrile
| Molecular Formula | C13H7Cl2NOS |
|---|---|
| Molecular Weight | 294.96 g/mol |
| LogP | 4.54498 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.96255 |
| Heavy Atoms | 18 |
| Complexity | 616.4166 |
Chemical Identifiers
| CAS Number | 561305-84-8 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C(C#N)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile (CAS 561305-84-8), with molecular formula C13H7Cl2NOS and molecular weight 294.96 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-3-oxo-3-thiophen-2-ylpropanenitrile.
Chemical Property Profile of 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile
Property Insights of 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile
The XLogP value of 4.54498 indicates that 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile has 0 hydrogen bond donor(s) and 3 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-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile?
The CAS number of 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile is 561305-84-8.
What is the molecular formula of 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile?
The molecular formula of 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile is C13H7Cl2NOS.
What is the molecular weight of 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile?
The molecular weight of 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile is 294.96 g/mol.
Where can I buy 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile?
You can request a quote for 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.