![3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile structure](/static/products/3387/338758-24-0.webp)
3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile
TL;DR: 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile (CAS 338758-24-0) is a chemical compound with molecular formula C15H12Cl2N4O and molecular weight 334.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenyl)methylidene]-4-methyl-3-oxo-4-(1,2,4-triazol-1-yl)pentanenitrile
Also Known As: 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile, 2-[(2,4-dichlorophenyl)methylidene]-4-methyl-3-oxo-4-(1,2,4-triazol-1-yl)pentanenitrile, (2E)-2-[(2,4-dichlorophenyl)methylidene]-4-methyl-3-oxo-4-(1,2,4-triazol-1-yl)pentanenitrile
| Molecular Formula | C15H12Cl2N4O |
|---|---|
| Molecular Weight | 334.04 g/mol |
| LogP | 3.49628 |
| Topological Polar Surface Area | 71.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.03882 |
| Heavy Atoms | 22 |
| Complexity | 773.33527 |
Chemical Identifiers
| CAS Number | 338758-24-0 |
|---|---|
| SMILES | CC(C)(C(=O)C(=CC1=C(C=C(C=C1)Cl)Cl)C#N)N2C=NC=N2 |
Product Overview
3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile (CAS 338758-24-0), with molecular formula C15H12Cl2N4O and molecular weight 334.04 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methylidene]-4-methyl-3-oxo-4-(1,2,4-triazol-1-yl)pentanenitrile.
Chemical Property Profile of 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile
Property Insights of 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile
The XLogP value of 3.49628 indicates that 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile. Following Lipinski's Rule of Five, 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile 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 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile?
The CAS number of 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile is 338758-24-0.
What is the molecular formula of 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile?
The molecular formula of 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile is C15H12Cl2N4O.
What is the molecular weight of 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile?
The molecular weight of 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile is 334.04 g/mol.
Where can I buy 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile?
You can request a quote for 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-dichlorophenyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.