![2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile structure](/static/products/3387/338759-07-2.webp)
2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile
TL;DR: 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile (CAS 338759-07-2) is a chemical compound with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-2-ylmethylidene)-4-methyl-3-oxo-4-(1,2,4-triazol-1-yl)pentanenitrile
Also Known As: 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile, 3-(2-furyl)-2-[2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoyl]acrylonitrile, 2-(furan-2-ylmethylidene)-4-methyl-3-oxo-4-(1,2,4-triazol-1-yl)pentanenitrile
| Molecular Formula | C13H12N4O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 1.78248 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.09604 |
| Heavy Atoms | 19 |
| Complexity | 630.7461 |
Chemical Identifiers
| CAS Number | 338759-07-2 |
|---|---|
| SMILES | CC(C)(C(=O)C(=CC1=CC=CO1)C#N)N2C=NC=N2 |
Product Overview
2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile (CAS 338759-07-2), with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol. IUPAC: 2-(furan-2-ylmethylidene)-4-methyl-3-oxo-4-(1,2,4-triazol-1-yl)pentanenitrile.
Chemical Property Profile of 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile
Property Insights of 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile
The XLogP value of 1.78248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile. Following Lipinski's Rule of Five, 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile has 0 hydrogen bond donor(s) and 5 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-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile?
The CAS number of 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile is 338759-07-2.
What is the molecular formula of 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile?
The molecular formula of 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile is C13H12N4O2.
What is the molecular weight of 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile?
The molecular weight of 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile is 256.10 g/mol.
Where can I buy 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile?
You can request a quote for 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(furan-2-yl)methylidene]-4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.