2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile
TL;DR: 2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile (CAS 81829-55-2) is a chemical compound with molecular formula C16H12N2OS and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile
Also Known As: BAS 06901504, J2.751.755B, 1-(2-Thienyl)-3-phenyl-4,4-dicyano-1-butanone, [3-Oxo-1-phenyl-3-(2-thienyl)propyl]malononitrile, 2-(3-oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile
| Molecular Formula | C16H12N2OS |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.76806 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.06705 |
| Heavy Atoms | 20 |
| Complexity | 636.03046 |
Chemical Identifiers
| CAS Number | 81829-55-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)C(C#N)C#N |
Product Overview
2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile (CAS 81829-55-2), with molecular formula C16H12N2OS and molecular weight 280.07 g/mol. IUPAC: 2-(3-oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile.
Chemical Property Profile of 2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile
Property Insights of 2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile
The XLogP value of 3.76806 indicates that 2-(3-Oxo-1-phenyl-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-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile. Following Lipinski's Rule of Five, 2-(3-Oxo-1-phenyl-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-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile?
The CAS number of 2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile is 81829-55-2.
What is the molecular formula of 2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile?
The molecular formula of 2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile is C16H12N2OS.
What is the molecular weight of 2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile?
The molecular weight of 2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile is 280.07 g/mol.
Where can I buy 2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile?
You can request a quote for 2-(3-Oxo-1-phenyl-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-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Oxo-1-phenyl-3-thiophen-2-ylpropyl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.