![4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile structure](/static/products/102/1025601-35-7.png)
4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile
TL;DR: 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile (CAS 1025601-35-7) is a chemical compound with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methylidene]-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-((5-METHYLISOXAZOL-3-YL)AMINO)PROP-2-ENENITRILE, 4,4-dimethyl-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methylidene]-3-oxo-pentanenitrile, 4,4-dimethyl-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methylidene]-3-oxopentanenitrile, 4,4-dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile
| Molecular Formula | C12H15N3O2 |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 2.4176 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.11642 |
| Heavy Atoms | 17 |
| Complexity | 486.5844 |
Chemical Identifiers
| CAS Number | 1025601-35-7 |
|---|---|
| SMILES | CC1=CC(=NO1)NC=C(C#N)C(=O)C(C)(C)C |
Product Overview
4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile (CAS 1025601-35-7), with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol. IUPAC: 4,4-dimethyl-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methylidene]-3-oxopentanenitrile.
Chemical Property Profile of 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile
Property Insights of 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile
The XLogP value of 2.4176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile. Following Lipinski's Rule of Five, 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile has 1 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 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile?
The CAS number of 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile is 1025601-35-7.
What is the molecular formula of 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile?
The molecular formula of 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile is C12H15N3O2.
What is the molecular weight of 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile?
The molecular weight of 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile is 233.12 g/mol.
Where can I buy 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile?
You can request a quote for 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2-[[(5-methylisoxazol-3-yl)amino]methylene]-3-oxo-pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.