(E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile
TL;DR: (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile (CAS 1164477-20-6) is a chemical compound with molecular formula C21H21FN2O2 and molecular weight 352.1587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile
Also Known As: (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile, 3-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]-2-(3-fluorophenyl)acrylonitrile, (2E)-3-[2,5-dimethoxy-4-(pyrrolidin-1-yl)phenyl]-2-(3-fluorophenyl)prop-2-enenitrile, (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)-2-(3-fluorophenyl)prop-2-enenitrile, (E)-3-(2,5-dimethoxy-4-pyrrolidino-phenyl)-2-(3-fluorophenyl)acrylonitrile
Technical Specifications
| Molecular Formula | C21H21FN2O2 |
| Molecular Weight | 352.1587 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.1587 Da |
| Heavy Atoms | 26 |
| Complexity | 537.0 |
| SMILES | COC1=CC(=C(C=C1/C=C(/C#N)\C2=CC(=CC=C2)F)OC)N3CCCC3 |
| InChIKey | LTMGWXRHZPWXLV-YVLHZVERSA-N |
Chemical Property Profile of (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile
Property Insights of (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile
The XLogP value of 4.4 indicates that (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile 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 (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile?
The CAS number of (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile is 1164477-20-6.
What is the molecular formula of (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile?
The molecular formula of (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile is C21H21FN2O2.
What is the molecular weight of (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile?
The molecular weight of (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile is 352.1587 g/mol.
Where can I buy (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile?
You can request a quote for (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for (E)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.