2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile
TL;DR: 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile (CAS 138716-60-6) is a chemical compound with molecular formula C12H10F2N2O and molecular weight 236.07613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(2,4-difluorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
Also Known As: 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile, 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)-acrylonitrile, (E)-2-(2,4-difluorobenzoyl)-3-(dimethylamino)acrylonitrile, (E)-2-(2,4-difluorobenzoyl)-3-(dimethylamino)prop-2-enenitrile, 2-(2,4-difluorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C12H10F2N2O |
| Molecular Weight | 236.07613 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07613 Da |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
| SMILES | CN(C)/C=C(\C#N)/C(=O)C1=C(C=C(C=C1)F)F |
| InChIKey | LBVXYAHPDWCZGR-BQYQJAHWSA-N |
Chemical Property Profile of 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile
Property Insights of 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile 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
What is the CAS number of 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile?
The CAS number of 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile is 138716-60-6.
What is the molecular formula of 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile?
The molecular formula of 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile is C12H10F2N2O.
What is the molecular weight of 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile?
The molecular weight of 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile is 236.07613 g/mol.
Where can I buy 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile?
You can request a quote for 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.