![[1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile structure](/static/products/4129/412944-77-5.webp)
[1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile
TL;DR: [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile (CAS 412944-77-5) is a chemical compound with molecular formula C18H16N2OS and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2,4-dimethylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
Also Known As: BAS 00512707, [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile, 2-(1-(2,4-Dimethylphenyl)-3-oxo-3-(thiophen-2-yl)propyl)malononitrile, 2-[1-(2,4-Dimethyl-phenyl)-3-oxo-3-thiophen-2-yl-propyl]-malononitrile, 2-[1-(2,4-dimethylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
| Molecular Formula | C18H16N2OS |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 4.3849 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.09833 |
| Heavy Atoms | 22 |
| Complexity | 736.3797 |
Chemical Identifiers
| CAS Number | 412944-77-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(CC(=O)C2=CC=CS2)C(C#N)C#N)C |
Product Overview
[1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile (CAS 412944-77-5), with molecular formula C18H16N2OS and molecular weight 308.10 g/mol. IUPAC: 2-[1-(2,4-dimethylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile.
Chemical Property Profile of [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile
Property Insights of [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile
The XLogP value of 4.3849 indicates that [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile 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-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile. Following Lipinski's Rule of Five, [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile 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-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile?
The CAS number of [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile is 412944-77-5.
What is the molecular formula of [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile?
The molecular formula of [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile is C18H16N2OS.
What is the molecular weight of [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile?
The molecular weight of [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile is 308.10 g/mol.
Where can I buy [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile?
You can request a quote for [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile 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-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(2,4-Dimethylphenyl)-3-oxo-3-(2-thienyl)propyl]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.