![[1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile structure](/static/products/4007/400737-44-2.webp)
[1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile
TL;DR: [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile (CAS 400737-44-2) is a chemical compound with molecular formula C16H10Cl2N2OS and molecular weight 347.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2,4-dichlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
Also Known As: starbld0011942, [1-(2,4-dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile, 2-[1-(2,4-dichlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile, 2-[1-(2,4-DICHLOROPHENYL)-3-OXO-3-(THIOPHEN-2-YL)PROPYL]PROPANEDINITRILE, 2-(1-(2,4-dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl)malononitrile
| Molecular Formula | C16H10Cl2N2OS |
|---|---|
| Molecular Weight | 347.99 g/mol |
| LogP | 5.07486 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.98907 |
| Heavy Atoms | 22 |
| Complexity | 745.43835 |
Chemical Identifiers
| CAS Number | 400737-44-2 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CC(C2=C(C=C(C=C2)Cl)Cl)C(C#N)C#N |
Product Overview
[1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile (CAS 400737-44-2), with molecular formula C16H10Cl2N2OS and molecular weight 347.99 g/mol. IUPAC: 2-[1-(2,4-dichlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile.
Chemical Property Profile of [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile
Property Insights of [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile
The XLogP value of 5.07486 indicates that [1-(2,4-Dichlorophenyl)-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-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile. Following Lipinski's Rule of Five, [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile?
The CAS number of [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile is 400737-44-2.
What is the molecular formula of [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile?
The molecular formula of [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile is C16H10Cl2N2OS.
What is the molecular weight of [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile?
The molecular weight of [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile is 347.99 g/mol.
Where can I buy [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile?
You can request a quote for [1-(2,4-Dichlorophenyl)-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-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(2,4-Dichlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.