2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE
TL;DR: 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE (CAS 1024671-38-2) is a chemical compound with molecular formula C15H17ClN2OS and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloroanilino)-methylsulfanylmethylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE, 2-[(2-chloroanilino)-methylsulfanylmethylidene]-4,4-dimethyl-3-oxopentanenitrile, 2-{[(2-chlorophenyl)amino](methylsulfanyl)methylidene}-4,4-dimethyl-3-oxopentanenitrile, 2-[(2-chloroanilino)-methylsulfanyl-methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[[(2-chlorophenyl)amino]-methylsulfanyl-methylidene]-4,4-dimethyl-3-oxo-pentanenitrile
| Molecular Formula | C15H17ClN2OS |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 4.46528 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.075 |
| Heavy Atoms | 20 |
| Complexity | 582.27167 |
Chemical Identifiers
| CAS Number | 1024671-38-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=C(NC1=CC=CC=C1Cl)SC)C#N |
Product Overview
2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE (CAS 1024671-38-2), with molecular formula C15H17ClN2OS and molecular weight 308.07 g/mol. IUPAC: 2-[(2-chloroanilino)-methylsulfanylmethylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE
Property Insights of 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE
The XLogP value of 4.46528 indicates that 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE has 1 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 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE?
The CAS number of 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE is 1024671-38-2.
What is the molecular formula of 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE?
The molecular formula of 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE is C15H17ClN2OS.
What is the molecular weight of 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE?
The molecular weight of 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE is 308.07 g/mol.
Where can I buy 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE?
You can request a quote for 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-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-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-DIMETHYLPROPANOYL)-3-((2-CHLOROPHENYL)AMINO)-3-METHYLTHIOPROP-2-ENENITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.