2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE
TL;DR: 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE (CAS 1025586-73-5) is a chemical compound with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE, 4,4-dimethyl-2-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylidene]-3-oxo-pentanenitrile, 4,4-dimethyl-2-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-3-oxopentanenitrile, 4,4-dimethyl-2-[[5-nitro-2-(2-pyridylsulfanyl)phenyl]methylene]-3-oxo-pentanenitrile
| Molecular Formula | C19H17N3O3S |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 4.66318 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.09906 |
| Heavy Atoms | 26 |
| Complexity | 909.86194 |
Chemical Identifiers
| CAS Number | 1025586-73-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=CC=N2)C#N |
Product Overview
2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE (CAS 1025586-73-5), with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol. IUPAC: 4,4-dimethyl-2-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-3-oxopentanenitrile.
Chemical Property Profile of 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE
Property Insights of 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE
The XLogP value of 4.66318 indicates that 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE. Following Lipinski's Rule of Five, 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE has 0 hydrogen bond donor(s) and 6 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-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE?
The CAS number of 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE is 1025586-73-5.
What is the molecular formula of 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE?
The molecular formula of 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE is C19H17N3O3S.
What is the molecular weight of 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE?
The molecular weight of 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE is 367.10 g/mol.
Where can I buy 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE?
You can request a quote for 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.