2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile
TL;DR: 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile (CAS 115716-98-8) is a chemical compound with molecular formula C9H5Cl2NO and molecular weight 212.97482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
Also Known As: Bionet2_000106, 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile, 2-(2,4-dichlorophenyl)-3-hydroxyacrylonitrile, alpha-(2, 4-dichlorophenyl)-alpha-hydroxymethylene acetonitrile, alpha-(2,4-dichlorophenyl)-alpha-hydroxymethylene acetonitrile
Technical Specifications
| Molecular Formula | C9H5Cl2NO |
| Molecular Weight | 212.97482 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.97482 Da |
| Heavy Atoms | 13 |
| Complexity | 256.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=CO)C#N |
| InChIKey | JYYKWIXMUMUGGD-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile
Property Insights of 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile has 1 hydrogen bond donor(s) and 2 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-Dichlorophenyl)-3-hydroxyprop-2-enenitrile?
The CAS number of 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile is 115716-98-8.
What is the molecular formula of 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile?
The molecular formula of 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile is C9H5Cl2NO.
What is the molecular weight of 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile?
The molecular weight of 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile is 212.97482 g/mol.
Where can I buy 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile?
You can request a quote for 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.