![(E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile structure](/static/products/1365/136562-85-1.webp)
(E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile
TL;DR: (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile (CAS 136562-85-1) is a chemical compound with molecular formula C19H14ClF3N2O2 and molecular weight 394.06958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl]-3-(dimethylamino)prop-2-enenitrile
Also Known As: (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile, 2-[2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl]-3-(dimethylamino)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C19H14ClF3N2O2 |
| Molecular Weight | 394.06958 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.06958 Da |
| Heavy Atoms | 27 |
| Complexity | 612.0 |
| SMILES | CN(C)C=C(C#N)C(=O)C1=CC=CC=C1OC2=CC(=C(C=C2)Cl)C(F)(F)F |
| InChIKey | UMULVZSJVJYMFI-UHFFFAOYSA-N |
Chemical Property Profile of (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile
Property Insights of (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile
The XLogP value of 4.9 indicates that (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile has 0 hydrogen bond donor(s) and 7 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)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile?
The CAS number of (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile is 136562-85-1.
What is the molecular formula of (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile?
The molecular formula of (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile is C19H14ClF3N2O2.
What is the molecular weight of (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile?
The molecular weight of (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile is 394.06958 g/mol.
Where can I buy (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile?
You can request a quote for (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile?
Yes, CoreyChem provides custom synthesis services for (E)-2-{2-[4-chloro-3-(trifluoromethyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.