3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE
TL;DR: 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE (CAS 1025639-85-3) is a chemical compound with molecular formula C17H13Cl2NO3 and molecular weight 349.02725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(6,8-dichloro-4-oxochromen-3-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE, 2-[(6,8-dichloro-4-oxochromen-3-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile, 2-[(6,8-dichloro-4-oxo-chromen-3-yl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(6,8-dichloro-4-oxo-chromen-3-yl)methylidene]-4,4-dimethyl-3-oxo-pentanenitrile
Technical Specifications
| Molecular Formula | C17H13Cl2NO3 |
| Molecular Weight | 349.02725 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.02725 Da |
| Heavy Atoms | 23 |
| Complexity | 636.0 |
| SMILES | CC(C)(C)C(=O)C(=CC1=COC2=C(C1=O)C=C(C=C2Cl)Cl)C#N |
| InChIKey | OBYJNQJGPAYKOM-UHFFFAOYSA-N |
Chemical Property Profile of 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE
Property Insights of 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE
The XLogP value of 4.2 indicates that 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE. Following Lipinski's Rule of Five, 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE 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
What is the CAS number of 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE?
The CAS number of 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE is 1025639-85-3.
What is the molecular formula of 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE?
The molecular formula of 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE is C17H13Cl2NO3.
What is the molecular weight of 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE?
The molecular weight of 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE is 349.02725 g/mol.
Where can I buy 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE?
You can request a quote for 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE?
Yes, CoreyChem provides custom synthesis services for 3-(6,8-DICHLORO-4-OXO(4H-CHROMEN-3-YL))-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.