![2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile structure](/static/products/821/82137-59-5.png)
2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
TL;DR: 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile (CAS 82137-59-5) is a chemical compound with molecular formula C16H11ClN2OS and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
Also Known As: BAS 00779538, 2-[1-(4-chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile, [1-(4-chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile, 2-(1-(4-chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl)malononitrile, [1-(4-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]methane-1,1-dicarbonitrile
| Molecular Formula | C16H11ClN2OS |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 4.42146 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.02808 |
| Heavy Atoms | 21 |
| Complexity | 681.36847 |
Chemical Identifiers
| CAS Number | 82137-59-5 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CC(C2=CC=C(C=C2)Cl)C(C#N)C#N |
Product Overview
2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile (CAS 82137-59-5), with molecular formula C16H11ClN2OS and molecular weight 314.03 g/mol. IUPAC: 2-[1-(4-chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile.
Chemical Property Profile of 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
Property Insights of 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
The XLogP value of 4.42146 indicates that 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile. Following Lipinski's Rule of Five, 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile has 0 hydrogen bond donor(s) and 4 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-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile?
The CAS number of 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile is 82137-59-5.
What is the molecular formula of 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile?
The molecular formula of 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile is C16H11ClN2OS.
What is the molecular weight of 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile?
The molecular weight of 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile is 314.03 g/mol.
Where can I buy 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile?
You can request a quote for 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-Chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.