![[1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile structure](/static/products/821/82137-58-4.png)
[1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile
TL;DR: [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile (CAS 82137-58-4) 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-(2-chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
Also Known As: starbld0014586, [1-(2-chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile, 2-[1-(2-chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile, 2-[1-(2-CHLOROPHENYL)-3-OXO-3-(THIOPHEN-2-YL)PROPYL]PROPANEDINITRILE, 2-(1-(2-chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl)malononitrile
| 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 | 698.61847 |
Chemical Identifiers
| CAS Number | 82137-58-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(CC(=O)C2=CC=CS2)C(C#N)C#N)Cl |
Product Overview
[1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile (CAS 82137-58-4), with molecular formula C16H11ClN2OS and molecular weight 314.03 g/mol. IUPAC: 2-[1-(2-chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile.
Chemical Property Profile of [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile
Property Insights of [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile
The XLogP value of 4.42146 indicates that [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]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 [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile. Following Lipinski's Rule of Five, [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]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 [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile?
The CAS number of [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile is 82137-58-4.
What is the molecular formula of [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile?
The molecular formula of [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile is C16H11ClN2OS.
What is the molecular weight of [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile?
The molecular weight of [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile is 314.03 g/mol.
Where can I buy [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile?
You can request a quote for [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.