2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
TL;DR: 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile (CAS 161942-95-6) is a chemical compound with molecular formula C18H16ClNO3 and molecular weight 329.08188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
Also Known As: 2-(4-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile, (2E)-2-(4-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile, 4-Chloro-alpha-[(2,4,5-trimethoxyphenyl)methylene]benzeneacetonitrile, 4-Chloro-I+/--[(2,4,5-trimethoxyphenyl)methylene]benzeneacetonitrile
Technical Specifications
| Molecular Formula | C18H16ClNO3 |
| Molecular Weight | 329.08188 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.08188 Da |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
| SMILES | COC1=CC(=C(C=C1C=C(C#N)C2=CC=C(C=C2)Cl)OC)OC |
| InChIKey | SEYBTFHUMNOWOJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
Property Insights of 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
The XLogP value of 4.2 indicates that 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.5 Ų, 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)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 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile?
The CAS number of 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile is 161942-95-6.
What is the molecular formula of 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile?
The molecular formula of 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile is C18H16ClNO3.
What is the molecular weight of 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile?
The molecular weight of 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile is 329.08188 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile?
You can request a quote for 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.